methyl 2-[(3-cyanophenyl)methyl]-3-[(6-imidazol-1-ylpyridin-3-yl)carbonylamino]butanoate

Systemtic Name: methyl 2-[(3-cyanophenyl)methyl]-3-[(6-imidazol-1-ylpyridin-3-yl)carbonylamino]butanoate Openeye Name: methyl 2-[(3-cyanophenyl)methyl]-3-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]butanoate CAS Name: 2-[(3-cyanophenyl)methyl]-3-[[[6-(1-imidazolyl)-3-pyridinyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[(3-cyanophenyl)methyl]-3-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]butanoate Traditional Name: 2-(3-cyanobenzyl)-3-[(6-imidazol-1-ylnicotinoyl)amino]butyric acid methyl ester Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O3/c1-15(19(22(29)30-2)11-16-4-3-5-17(10-16)12-23)26-21(28)18-6-7-20(25-13-18)27-9-8-24-14-27/h3-10,13-15,19H,11H2,1-2H3,(H,26,28)