1-(3-butyl-4-oxidanylidene-phthalazin-1-yl)carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-(3-butyl-4-oxidanylidene-phthalazin-1-yl)carbonylpiperidine-4-carboxylic acid Openeye Name: 1-(3-butyl-4-oxo-phthalazine-1-carbonyl)piperidine-4-carboxylic acid CAS Name: 1-[(3-butyl-4-oxo-1-phthalazinyl)-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(3-butyl-4-oxophthalazine-1-carbonyl)piperidine-4-carboxylic acid Traditional Name: 1-(3-butyl-4-keto-phthalazine-1-carbonyl)isonipecotic acid Formula: C19H23N3O4 MolecularWeight: 357.40362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C19H23N3O4/c1-2-3-10-22-17(23)15-7-5-4-6-14(15)16(20-22)18(24)21-11-8-13(9-12-21)19(25)26/h4-7,13H,2-3,8-12H2,1H3,(H,25,26)