methyl 2-[(3-cyanophenyl)methyl]-3-[(3-imidazol-1-ylphenyl)carbonylamino]butanoate

Systemtic Name: methyl 2-[(3-cyanophenyl)methyl]-3-[(3-imidazol-1-ylphenyl)carbonylamino]butanoate Openeye Name: methyl 2-[(3-cyanophenyl)methyl]-3-[(3-imidazol-1-ylbenzoyl)amino]butanoate CAS Name: 2-[(3-cyanophenyl)methyl]-3-[[[3-(1-imidazolyl)phenyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[(3-cyanophenyl)methyl]-3-[(3-imidazol-1-ylbenzoyl)amino]butanoate Traditional Name: 2-(3-cyanobenzyl)-3-[(3-imidazol-1-ylbenzoyl)amino]butyric acid methyl ester Formula: C23H22N4O3 MolecularWeight: 402.44578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=CC(=C1)C#N)C(=O)OC)NC(=O)C2=CC(=CC=C2)N3C=CN=C3

Isomeric SMILES

CC(C(CC1=CC=CC(=C1)C#N)C(=O)OC)NC(=O)C2=CC(=CC=C2)N3C=CN=C3

InChI

InChI=1S/C23H22N4O3/c1-16(21(23(29)30-2)12-17-5-3-6-18(11-17)14-24)26-22(28)19-7-4-8-20(13-19)27-10-9-25-15-27/h3-11,13,15-16,21H,12H2,1-2H3,(H,26,28)