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Summary Geometry Related PDB entries

HO0

Summary

Name:	(2~{S})-2-azanyl-7-[(2-phenylphenyl)methoxy]-3,4-dihydro-1~{H}-naphthalene-2-carboxylic acid
Formula:	C24 H23 N O3
Formal charge:	0
Formula weight:	373.444 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	(2~{S})-2-azanyl-7-[(2-phenylphenyl)methoxy]-3,4-dihydro-1~{H}-naphthalene-2-carboxylic acid

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C24H23NO3/c25-24(23(26)27)13-12-17-10-11-21(14-20(17)15-24)28-16-19-8-4-5-9-22(19)18-6-2-1-3-7-18/h1-11,14H,12-13,15-16,25H2,(H,26,27)/t24-/m0/s1
InChIKey	InChI	1.03	WYFYXQDJHCIQGH-DEOSSOPVSA-N
SMILES_CANONICAL	CACTVS	3.385	N[C@]1(CCc2ccc(OCc3ccccc3c4ccccc4)cc2C1)C(O)=O
SMILES	CACTVS	3.385	N[C]1(CCc2ccc(OCc3ccccc3c4ccccc4)cc2C1)C(O)=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2ccccc2COc3ccc4c(c3)C[C@@](CC4)(C(=O)O)N
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2ccccc2COc3ccc4c(c3)CC(CC4)(C(=O)O)N

222415

PDB entries from 2024-07-10

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