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

Systemtic Name: ethyl 3,5-dimethyl-4-[[1-(phenylmethyl)piperidin-4-yl]carbamoyl]-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[(1-benzyl-4-piperidyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[oxo-[[1-(phenylmethyl)-4-piperidinyl]amino]methyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(1-benzylpiperidin-4-yl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[(1-benzyl-4-piperidyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C22H29N3O3 MolecularWeight: 383.48396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)NC2CCN(CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)NC2CCN(CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H29N3O3/c1-4-28-22(27)20-15(2)19(16(3)23-20)21(26)24-18-10-12-25(13-11-18)14-17-8-6-5-7-9-17/h5-9,18,23H,4,10-14H2,1-3H3,(H,24,26)