ethyl 2,4-dimethyl-1-[2-oxidanylidene-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-5-phenyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-1-[2-oxidanylidene-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-5-phenyl-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-1-[2-oxo-2-[4-(1-piperidyl)-1-piperidyl]ethyl]-5-phenyl-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-1-[2-oxo-2-[4-(1-piperidinyl)-1-piperidinyl]ethyl]-5-phenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-1-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-5-phenylpyrrole-3-carboxylate Traditional Name: 1-[2-keto-2-(4-piperidinopiperidino)ethyl]-2,4-dimethyl-5-phenyl-pyrrole-3-carboxylic acid ethyl ester Formula: C27H37N3O3 MolecularWeight: 451.60098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1C)C2=CC=CC=C2)CC(=O)N3CCC(CC3)N4CCCCC4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1C)C2=CC=CC=C2)CC(=O)N3CCC(CC3)N4CCCCC4)C

InChI

InChI=1S/C27H37N3O3/c1-4-33-27(32)25-20(2)26(22-11-7-5-8-12-22)30(21(25)3)19-24(31)29-17-13-23(14-18-29)28-15-9-6-10-16-28/h5,7-8,11-12,23H,4,6,9-10,13-19H2,1-3H3