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

Systemtic Name: propan-2-yl 2,4-dimethyl-5-[3-[methyl-(phenylmethyl)amino]propylcarbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: isopropyl 5-[3-[benzyl(methyl)amino]propylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[[3-[methyl-(phenylmethyl)amino]propylamino]-oxomethyl]-1H-pyrrole-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-[3-[benzyl(methyl)amino]propylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[3-[benzyl(methyl)amino]propylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid isopropyl ester Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)NCCCN(C)CC2=CC=CC=C2

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)NCCCN(C)CC2=CC=CC=C2

InChI

InChI=1S/C22H31N3O3/c1-15(2)28-22(27)19-16(3)20(24-17(19)4)21(26)23-12-9-13-25(5)14-18-10-7-6-8-11-18/h6-8,10-11,15,24H,9,12-14H2,1-5H3,(H,23,26)