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

Systemtic Name: propan-2-yl 2,4-dimethyl-5-[(phenylmethyl)carbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: isopropyl 5-(benzylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-[(phenylmethyl)amino]methyl]-1H-pyrrole-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-(benzylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-(benzylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid isopropyl ester Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C18H22N2O3/c1-11(2)23-18(22)15-12(3)16(20-13(15)4)17(21)19-10-14-8-6-5-7-9-14/h5-9,11,20H,10H2,1-4H3,(H,19,21)