ethyl (3S)-1-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonyl]-3-phenethyl-piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonyl]-3-phenethyl-piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(4-oxo-3H-phthalazine-1-carbonyl)-3-phenethyl-piperidine-3-carboxylate CAS Name: (3S)-1-[oxo-(4-oxo-3H-phthalazin-1-yl)methyl]-3-phenethyl-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(4-oxo-3H-phthalazine-1-carbonyl)-3-phenethylpiperidine-3-carboxylate Traditional Name: (3S)-1-(4-keto-3H-phthalazine-1-carbonyl)-3-phenethyl-nipecotic acid ethyl ester Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=NNC(=O)C3=CC=CC=C32)CCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@]1(CCCN(C1)C(=O)C2=NNC(=O)C3=CC=CC=C32)CCC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O4/c1-2-32-24(31)25(15-13-18-9-4-3-5-10-18)14-8-16-28(17-25)23(30)21-19-11-6-7-12-20(19)22(29)27-26-21/h3-7,9-12H,2,8,13-17H2,1H3,(H,27,29)/t25-/m1/s1