methyl 2-[(3-cyanophenyl)methyl]-3-[[4-(1H-imidazol-5-yl)phenyl]carbonylamino]butanoate

Systemtic Name: methyl 2-[(3-cyanophenyl)methyl]-3-[[4-(1H-imidazol-5-yl)phenyl]carbonylamino]butanoate Openeye Name: methyl 2-[(3-cyanophenyl)methyl]-3-[[4-(1H-imidazol-5-yl)benzoyl]amino]butanoate CAS Name: 2-[(3-cyanophenyl)methyl]-3-[[[4-(1H-imidazol-5-yl)phenyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[(3-cyanophenyl)methyl]-3-[[4-(1H-imidazol-5-yl)benzoyl]amino]butanoate Traditional Name: 2-(3-cyanobenzyl)-3-[[4-(1H-imidazol-5-yl)benzoyl]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=C(C=C2)C3=CN=CN3

Isomeric SMILES

CC(C(CC1=CC=CC(=C1)C#N)C(=O)OC)NC(=O)C2=CC=C(C=C2)C3=CN=CN3

InChI

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