ethyl 1-[3-(6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[3-(6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate Openeye Name: ethyl 3-[(E)-cinnamyl]-1-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]piperidine-3-carboxylate CAS Name: 1-[1-oxo-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propyl]-3-[(E)-3-phenylprop-2-enyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate Traditional Name: 3-[(E)-cinnamyl]-1-[3-(6-keto-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]nipecotic acid ethyl ester Formula: C24H31N3O4 MolecularWeight: 425.52064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)CCC2=NNC(=O)CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)CCC2=NNC(=O)CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C24H31N3O4/c1-2-31-23(30)24(15-6-10-19-8-4-3-5-9-19)16-7-17-27(18-24)22(29)14-12-20-11-13-21(28)26-25-20/h3-6,8-10H,2,7,11-18H2,1H3,(H,26,28)/b10-6+