tert-butyl 3-ethyl-5-[[(4-methoxyphenyl)amino]methyl]-4-[(1-methylpiperidin-3-yl)methylcarbamoyl]-1H-pyrrole-2-carboxylate

Systemtic Name: tert-butyl 3-ethyl-5-[[(4-methoxyphenyl)amino]methyl]-4-[(1-methylpiperidin-3-yl)methylcarbamoyl]-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 3-ethyl-5-[(4-methoxyanilino)methyl]-4-[(1-methyl-3-piperidyl)methylcarbamoyl]-1H-pyrrole-2-carboxylate CAS Name: 3-ethyl-5-[(4-methoxyanilino)methyl]-4-[[(1-methyl-3-piperidinyl)methylamino]-oxomethyl]-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-ethyl-5-[(4-methoxyanilino)methyl]-4-[(1-methylpiperidin-3-yl)methylcarbamoyl]-1H-pyrrole-2-carboxylate Traditional Name: 3-ethyl-4-[(1-methyl-3-piperidyl)methylcarbamoyl]-5-(p-anisidinomethyl)-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C27H40N4O4 MolecularWeight: 484.6309

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C(=O)NCC2CCCN(C2)C)CNC3=CC=C(C=C3)OC)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=C(NC(=C1C(=O)NCC2CCCN(C2)C)CNC3=CC=C(C=C3)OC)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H40N4O4/c1-7-21-23(25(32)29-15-18-9-8-14-31(5)17-18)22(30-24(21)26(33)35-27(2,3)4)16-28-19-10-12-20(34-6)13-11-19/h10-13,18,28,30H,7-9,14-17H2,1-6H3,(H,29,32)