propan-2-yl 2,4-dimethyl-5-[(phenylmethyl)-propyl-carbamoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: propan-2-yl 2,4-dimethyl-5-[(phenylmethyl)-propyl-carbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: isopropyl 5-[benzyl(propyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-[(phenylmethyl)-propylamino]methyl]-1H-pyrrole-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-[benzyl(propyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[benzyl(propyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid isopropyl ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=CC=C1)C(=O)C2=C(C(=C(N2)C)C(=O)OC(C)C)C

Isomeric SMILES

CCCN(CC1=CC=CC=C1)C(=O)C2=C(C(=C(N2)C)C(=O)OC(C)C)C

InChI

InChI=1S/C21H28N2O3/c1-6-12-23(13-17-10-8-7-9-11-17)20(24)19-15(4)18(16(5)22-19)21(25)26-14(2)3/h7-11,14,22H,6,12-13H2,1-5H3