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

Systemtic Name: methyl 2-[(3-cyanophenyl)methyl]-3-[(6-pyrrol-1-ylpyridin-3-yl)carbonylamino]butanoate Openeye Name: methyl 2-[(3-cyanophenyl)methyl]-3-[(6-pyrrol-1-ylpyridine-3-carbonyl)amino]butanoate CAS Name: 2-[(3-cyanophenyl)methyl]-3-[[oxo-[6-(1-pyrrolyl)-3-pyridinyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[(3-cyanophenyl)methyl]-3-[(6-pyrrol-1-ylpyridine-3-carbonyl)amino]butanoate Traditional Name: 2-(3-cyanobenzyl)-3-[(6-pyrrol-1-ylnicotinoyl)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=CN=C(C=C2)N3C=CC=C3

Isomeric SMILES

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

InChI

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