methyl 2-[(3-ethanimidoylphenyl)methyl]-3-[(4-phenylphenyl)carbonylamino]butanoate

Systemtic Name: methyl 2-[(3-ethanimidoylphenyl)methyl]-3-[(4-phenylphenyl)carbonylamino]butanoate Openeye Name: methyl 2-[(3-ethanimidoylphenyl)methyl]-3-[(4-phenylbenzoyl)amino]butanoate CAS Name: 2-[[3-(1-iminoethyl)phenyl]methyl]-3-[[oxo-(4-phenylphenyl)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[(3-ethanimidoylphenyl)methyl]-3-[(4-phenylbenzoyl)amino]butanoate Traditional Name: 2-(3-acetimidoylbenzyl)-3-[(4-phenylbenzoyl)amino]butyric acid methyl ester Formula: C27H28N2O3 MolecularWeight: 428.52282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=CC(=C1)C(=N)C)C(=O)OC)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C(CC1=CC=CC(=C1)C(=N)C)C(=O)OC)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H28N2O3/c1-18(28)24-11-7-8-20(16-24)17-25(27(31)32-3)19(2)29-26(30)23-14-12-22(13-15-23)21-9-5-4-6-10-21/h4-16,19,25,28H,17H2,1-3H3,(H,29,30)