[2-(1-benzamido-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 6-methylpyridine-3-carboxylate

Systemtic Name: [2-(1-benzamido-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 6-methylpyridine-3-carboxylate Openeye Name: [2-(1-benzamido-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 6-methylpyridine-3-carboxylate CAS Name: 6-methyl-3-pyridinecarboxylic acid [2-(1-benzamido-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-benzamido-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 6-methylpyridine-3-carboxylate Traditional Name: 6-methylnicotinic acid [2-(1-benzamido-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O4/c1-14-9-10-18(12-23-14)22(28)29-13-20(26)19-11-15(2)25(16(19)3)24-21(27)17-7-5-4-6-8-17/h4-12H,13H2,1-3H3,(H,24,27)