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

Systemtic Name: methyl 2-[(3-cyanophenyl)methyl]-3-[[4-(3-ethylphenyl)phenyl]carbonylamino]butanoate Openeye Name: methyl 2-[(3-cyanophenyl)methyl]-3-[[4-(3-ethylphenyl)benzoyl]amino]butanoate CAS Name: 2-[(3-cyanophenyl)methyl]-3-[[[4-(3-ethylphenyl)phenyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[(3-cyanophenyl)methyl]-3-[[4-(3-ethylphenyl)benzoyl]amino]butanoate Traditional Name: 2-(3-cyanobenzyl)-3-[[4-(3-ethylphenyl)benzoyl]amino]butyric acid methyl ester Formula: C28H28N2O3 MolecularWeight: 440.53352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28N2O3/c1-4-20-7-6-10-25(16-20)23-11-13-24(14-12-23)27(31)30-19(2)26(28(32)33-3)17-21-8-5-9-22(15-21)18-29/h5-16,19,26H,4,17H2,1-3H3,(H,30,31)