ethyl 3-[(4-cyanophenyl)methoxy]-1-methyl-4-[[1-(phenylmethyl)piperidin-4-yl]carbamoyl]pyrrole-2-carboxylate

Systemtic Name: ethyl 3-[(4-cyanophenyl)methoxy]-1-methyl-4-[[1-(phenylmethyl)piperidin-4-yl]carbamoyl]pyrrole-2-carboxylate Openeye Name: ethyl 4-[(1-benzyl-4-piperidyl)carbamoyl]-3-[(4-cyanophenyl)methoxy]-1-methyl-pyrrole-2-carboxylate CAS Name: 3-[(4-cyanophenyl)methoxy]-1-methyl-4-[oxo-[[1-(phenylmethyl)-4-piperidinyl]amino]methyl]-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(1-benzylpiperidin-4-yl)carbamoyl]-3-[(4-cyanophenyl)methoxy]-1-methylpyrrole-2-carboxylate Traditional Name: 4-[(1-benzyl-4-piperidyl)carbamoyl]-3-(4-cyanobenzyl)oxy-1-methyl-pyrrole-2-carboxylic acid ethyl ester Formula: C29H32N4O4 MolecularWeight: 500.58878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CN1C)C(=O)NC2CCN(CC2)CC3=CC=CC=C3)OCC4=CC=C(C=C4)C#N

Isomeric SMILES

CCOC(=O)C1=C(C(=CN1C)C(=O)NC2CCN(CC2)CC3=CC=CC=C3)OCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C29H32N4O4/c1-3-36-29(35)26-27(37-20-23-11-9-21(17-30)10-12-23)25(19-32(26)2)28(34)31-24-13-15-33(16-14-24)18-22-7-5-4-6-8-22/h4-12,19,24H,3,13-16,18,20H2,1-2H3,(H,31,34)