ethyl 4-[(E)-3-(4-benzamidopiperidin-1-yl)-3-oxidanylidene-prop-1-enyl]-1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[(E)-3-(4-benzamidopiperidin-1-yl)-3-oxidanylidene-prop-1-enyl]-1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 4-[(E)-3-(4-benzamido-1-piperidyl)-3-oxo-prop-1-enyl]-1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 4-[(E)-3-(4-benzamido-1-piperidinyl)-3-oxoprop-1-enyl]-1-ethyl-2,5-dimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-3-(4-benzamidopiperidin-1-yl)-3-oxoprop-1-enyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 4-[(E)-3-(4-benzamidopiperidino)-3-keto-prop-1-enyl]-1-ethyl-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C26H33N3O4 MolecularWeight: 451.55792

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=C1C)C(=O)OCC)C=CC(=O)N2CCC(CC2)NC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CCN1C(=C(C(=C1C)C(=O)OCC)/C=C/C(=O)N2CCC(CC2)NC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C26H33N3O4/c1-5-29-18(3)22(24(19(29)4)26(32)33-6-2)12-13-23(30)28-16-14-21(15-17-28)27-25(31)20-10-8-7-9-11-20/h7-13,21H,5-6,14-17H2,1-4H3,(H,27,31)/b13-12+