methyl 2-ethyl-4-methyl-5-[4-(3-phenylpropanoylamino)piperidin-1-yl]carbonyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2-ethyl-4-methyl-5-[4-(3-phenylpropanoylamino)piperidin-1-yl]carbonyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 2-ethyl-4-methyl-5-[4-(3-phenylpropanoylamino)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate CAS Name: 2-ethyl-4-methyl-5-[oxo-[4-[(1-oxo-3-phenylpropyl)amino]-1-piperidinyl]methyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2-ethyl-4-methyl-5-[4-(3-phenylpropanoylamino)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate Traditional Name: 2-ethyl-5-[4-(hydrocinnamoylamino)piperidine-1-carbonyl]-4-methyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C24H31N3O4 MolecularWeight: 425.52064

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)N2CCC(CC2)NC(=O)CCC3=CC=CC=C3)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)N2CCC(CC2)NC(=O)CCC3=CC=CC=C3)C)C(=O)OC

InChI

InChI=1S/C24H31N3O4/c1-4-19-21(24(30)31-3)16(2)22(26-19)23(29)27-14-12-18(13-15-27)25-20(28)11-10-17-8-6-5-7-9-17/h5-9,18,26H,4,10-15H2,1-3H3,(H,25,28)