ethyl 1-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate Openeye Name: ethyl 3-[(E)-cinnamyl]-1-(4-oxo-3H-phthalazine-1-carbonyl)piperidine-3-carboxylate CAS Name: 1-[oxo-(4-oxo-3H-phthalazin-1-yl)methyl]-3-[(E)-3-phenylprop-2-enyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-oxo-3H-phthalazine-1-carbonyl)-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate Traditional Name: 3-[(E)-cinnamyl]-1-(4-keto-3H-phthalazine-1-carbonyl)nipecotic acid ethyl ester Formula: C26H27N3O4 MolecularWeight: 445.51028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=NNC(=O)C3=CC=CC=C32)CC=CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)C2=NNC(=O)C3=CC=CC=C32)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C26H27N3O4/c1-2-33-25(32)26(15-8-12-19-10-4-3-5-11-19)16-9-17-29(18-26)24(31)22-20-13-6-7-14-21(20)23(30)28-27-22/h3-8,10-14H,2,9,15-18H2,1H3,(H,28,30)/b12-8+