4-[(3-butyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[(3-butyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]-3-methyl-benzoic acid Openeye Name: 4-[(3-butyl-4-oxo-phthalazine-1-carbonyl)amino]-3-methyl-benzoic acid CAS Name: 4-[[(3-butyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[(3-butyl-4-oxophthalazine-1-carbonyl)amino]-3-methylbenzoic acid Traditional Name: 4-[(3-butyl-4-keto-phthalazine-1-carbonyl)amino]-3-methyl-benzoic acid Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=C(C=C3)C(=O)O)C

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=C(C=C3)C(=O)O)C

InChI

InChI=1S/C21H21N3O4/c1-3-4-11-24-20(26)16-8-6-5-7-15(16)18(23-24)19(25)22-17-10-9-14(21(27)28)12-13(17)2/h5-10,12H,3-4,11H2,1-2H3,(H,22,25)(H,27,28)