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Summary Geometry Related PDB entries

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Summary

Name:	Carfentanil
Synonyms:	methyl 1-(2-phenylethyl)-4-(N-phenylpropanamido)piperidine-4-carboxylate
Formula:	C24 H30 N2 O3
Formal charge:	0
Formula weight:	394.507 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	methyl 1-(2-phenylethyl)-4-(N-phenylpropanamido)piperidine-4-carboxylate
OpenEye OEToolkits	2.0.7	methyl 1-(2-phenylethyl)-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(OC)C1(CCN(CCc2ccccc2)CC1)N(c1ccccc1)C(=O)CC
InChI	InChI	1.06	InChI=1S/C24H30N2O3/c1-3-22(27)26(21-12-8-5-9-13-21)24(23(28)29-2)15-18-25(19-16-24)17-14-20-10-6-4-7-11-20/h4-13H,3,14-19H2,1-2H3
InChIKey	InChI	1.06	YDSDEBIZUNNPOB-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CCC(=O)N(c1ccccc1)C2(CCN(CCc3ccccc3)CC2)C(=O)OC
SMILES	CACTVS	3.385	CCC(=O)N(c1ccccc1)C2(CCN(CCc3ccccc3)CC2)C(=O)OC
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CCC(=O)N(c1ccccc1)C2(CCN(CC2)CCc3ccccc3)C(=O)OC
SMILES	OpenEye OEToolkits	2.0.7	CCC(=O)N(c1ccccc1)C2(CCN(CC2)CCc3ccccc3)C(=O)OC

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