methyl 4-[4-aminocarbonyl-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrol-3-yl]benzoate

Systemtic Name: methyl 4-[4-aminocarbonyl-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrol-3-yl]benzoate Openeye Name: methyl 4-[4-carbamoyl-2,5-dimethyl-1-(2-pyridylmethyl)pyrrol-3-yl]benzoate CAS Name: 4-[4-carbamoyl-2,5-dimethyl-1-(2-pyridinylmethyl)-3-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-carbamoyl-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrol-3-yl]benzoate Traditional Name: 4-[4-carbamoyl-2,5-dimethyl-1-(2-pyridylmethyl)pyrrol-3-yl]benzoic acid methyl ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CC=CC=N2)C)C(=O)N)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC=CC=N2)C)C(=O)N)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H21N3O3/c1-13-18(15-7-9-16(10-8-15)21(26)27-3)19(20(22)25)14(2)24(13)12-17-6-4-5-11-23-17/h4-11H,12H2,1-3H3,(H2,22,25)