ethyl 2-methyl-1-(4-oxidanylidene-4-piperidin-1-yl-butyl)-5-phenyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 2-methyl-1-(4-oxidanylidene-4-piperidin-1-yl-butyl)-5-phenyl-pyrrole-3-carboxylate Openeye Name: ethyl 2-methyl-1-[4-oxo-4-(1-piperidyl)butyl]-5-phenyl-pyrrole-3-carboxylate CAS Name: 2-methyl-1-[4-oxo-4-(1-piperidinyl)butyl]-5-phenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-1-(4-oxo-4-piperidin-1-ylbutyl)-5-phenylpyrrole-3-carboxylate Traditional Name: 1-(4-keto-4-piperidino-butyl)-2-methyl-5-phenyl-pyrrole-3-carboxylic acid ethyl ester Formula: C23H30N2O3 MolecularWeight: 382.4959

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C2=CC=CC=C2)CCCC(=O)N3CCCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C2=CC=CC=C2)CCCC(=O)N3CCCCC3)C

InChI

InChI=1S/C23H30N2O3/c1-3-28-23(27)20-17-21(19-11-6-4-7-12-19)25(18(20)2)16-10-13-22(26)24-14-8-5-9-15-24/h4,6-7,11-12,17H,3,5,8-10,13-16H2,1-2H3