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

Systemtic Name: methyl 4-[4-aminocarbonyl-2-ethyl-5-methyl-1-(pyridin-2-ylmethyl)pyrrol-3-yl]benzoate Openeye Name: methyl 4-[4-carbamoyl-2-ethyl-5-methyl-1-(2-pyridylmethyl)pyrrol-3-yl]benzoate CAS Name: 4-[4-carbamoyl-2-ethyl-5-methyl-1-(2-pyridinylmethyl)-3-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-carbamoyl-2-ethyl-5-methyl-1-(pyridin-2-ylmethyl)pyrrol-3-yl]benzoate Traditional Name: 4-[4-carbamoyl-2-ethyl-5-methyl-1-(2-pyridylmethyl)pyrrol-3-yl]benzoic acid methyl ester Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1CC2=CC=CC=N2)C)C(=O)N)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1CC2=CC=CC=N2)C)C(=O)N)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H23N3O3/c1-4-18-20(15-8-10-16(11-9-15)22(27)28-3)19(21(23)26)14(2)25(18)13-17-7-5-6-12-24-17/h5-12H,4,13H2,1-3H3,(H2,23,26)