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Summary Geometry Related PDB entries

L0R

Summary

Name:	1-[(2R)-2-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)piperidin-1-yl]-2-phenoxyethanone
Formula:	C23 H26 N2 O3
Formal charge:	0
Formula weight:	378.464 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	1-[(2R)-2-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)piperidin-1-yl]-2-phenoxyethanone
OpenEye OEToolkits	1.7.6	1-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)piperidin-1-yl]-2-phenoxy-ethanone

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(N3C(C(=O)N2Cc1ccccc1CC2)CCCC3)COc4ccccc4
InChI	InChI	1.03	InChI=1S/C23H26N2O3/c26-22(17-28-20-10-2-1-3-11-20)25-14-7-6-12-21(25)23(27)24-15-13-18-8-4-5-9-19(18)16-24/h1-5,8-11,21H,6-7,12-17H2/t21-/m1/s1
InChIKey	InChI	1.03	CJQMUNJPWNNVDR-OAQYLSRUSA-N
SMILES_CANONICAL	CACTVS	3.370	O=C(COc1ccccc1)N2CCCC[C@@H]2C(=O)N3CCc4ccccc4C3
SMILES	CACTVS	3.370	O=C(COc1ccccc1)N2CCCC[CH]2C(=O)N3CCc4ccccc4C3
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	c1ccc(cc1)OCC(=O)N2CCCC[C@@H]2C(=O)N3CCc4ccccc4C3
SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)OCC(=O)N2CCCCC2C(=O)N3CCc4ccccc4C3

222415

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