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Summary Geometry Related PDB entries

V9Z

Summary

Name:	N-(2,2-diphenylethyl)-4-methoxy-3,5-dimethyl-N-[2-(methylamino)-2-oxidanylidene-ethyl]benzamide
Synonyms:	N-(2,2-diphenylethyl)-4-methoxy-3,5-dimethyl-N-(2-(methylamino)-2-oxoethyl)benzamide
Formula:	C27 H30 N2 O3
Formal charge:	0
Formula weight:	430.539 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	~{N}-(2,2-diphenylethyl)-4-methoxy-3,5-dimethyl-~{N}-[2-(methylamino)-2-oxidanylidene-ethyl]benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C27H30N2O3/c1-19-15-23(16-20(2)26(19)32-4)27(31)29(18-25(30)28-3)17-24(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-16,24H,17-18H2,1-4H3,(H,28,30)
InChIKey	InChI	1.03	NLJFSVIZSWAERX-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CNC(=O)CN(CC(c1ccccc1)c2ccccc2)C(=O)c3cc(C)c(OC)c(C)c3
SMILES	CACTVS	3.385	CNC(=O)CN(CC(c1ccccc1)c2ccccc2)C(=O)c3cc(C)c(OC)c(C)c3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1cc(cc(c1OC)C)C(=O)N(CC(c2ccccc2)c3ccccc3)CC(=O)NC
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(cc(c1OC)C)C(=O)N(CC(c2ccccc2)c3ccccc3)CC(=O)NC

223166

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