methyl 2-[(3-cyanophenyl)methyl]-3-[[4-(3-ethylphenyl)phenyl]carbonylamino]pentanoate

Systemtic Name: methyl 2-[(3-cyanophenyl)methyl]-3-[[4-(3-ethylphenyl)phenyl]carbonylamino]pentanoate Openeye Name: methyl 2-[(3-cyanophenyl)methyl]-3-[[4-(3-ethylphenyl)benzoyl]amino]pentanoate CAS Name: 2-[(3-cyanophenyl)methyl]-3-[[[4-(3-ethylphenyl)phenyl]-oxomethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl 2-[(3-cyanophenyl)methyl]-3-[[4-(3-ethylphenyl)benzoyl]amino]pentanoate Traditional Name: 2-(3-cyanobenzyl)-3-[[4-(3-ethylphenyl)benzoyl]amino]valeric acid methyl ester Formula: C29H30N2O3 MolecularWeight: 454.5601

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1)C2=CC=C(C=C2)C(=O)NC(CC)C(CC3=CC=CC(=C3)C#N)C(=O)OC

Isomeric SMILES

CCC1=CC=CC(=C1)C2=CC=C(C=C2)C(=O)NC(CC)C(CC3=CC=CC(=C3)C#N)C(=O)OC

InChI

InChI=1S/C29H30N2O3/c1-4-20-8-7-11-25(17-20)23-12-14-24(15-13-23)28(32)31-27(5-2)26(29(33)34-3)18-21-9-6-10-22(16-21)19-30/h6-17,26-27H,4-5,18H2,1-3H3,(H,31,32)