(3S)-3-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]-3-(4-methylphenyl)propanoic acid

Systemtic Name: (3S)-3-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]-3-(4-methylphenyl)propanoic acid Openeye Name: (3S)-3-[(3-methyl-4-oxo-phthalazine-1-carbonyl)amino]-3-(p-tolyl)propanoic acid CAS Name: (3S)-3-[[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]-3-(4-methylphenyl)propanoic acid IUPAC Name: (3S)-3-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]-3-(4-methylphenyl)propanoic acid Traditional Name: (3S)-3-[(4-keto-3-methyl-phthalazine-1-carbonyl)amino]-3-(p-tolyl)propionic acid Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CC(=O)O)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C20H19N3O4/c1-12-7-9-13(10-8-12)16(11-17(24)25)21-19(26)18-14-5-3-4-6-15(14)20(27)23(2)22-18/h3-10,16H,11H2,1-2H3,(H,21,26)(H,24,25)/t16-/m0/s1