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

Systemtic Name: 3-methyl-4-[[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]carbonylamino]benzoic acid Openeye Name: 4-[(3-benzyl-4-oxo-phthalazine-1-carbonyl)amino]-3-methyl-benzoic acid CAS Name: 3-methyl-4-[[oxo-[4-oxo-3-(phenylmethyl)-1-phthalazinyl]methyl]amino]benzoic acid IUPAC Name: 4-[(3-benzyl-4-oxophthalazine-1-carbonyl)amino]-3-methylbenzoic acid Traditional Name: 4-[(3-benzyl-4-keto-phthalazine-1-carbonyl)amino]-3-methyl-benzoic acid Formula: C24H19N3O4 MolecularWeight: 413.42536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C24H19N3O4/c1-15-13-17(24(30)31)11-12-20(15)25-22(28)21-18-9-5-6-10-19(18)23(29)27(26-21)14-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,25,28)(H,30,31)