2-azanyl-5-oxidanylidene-4-(2-oxidanylideneethyl)heptanoic acid; 2-(2-methyl-6-phenyl-phenyl)isoindole-1,3-dione

Systemtic Name: 2-azanyl-5-oxidanylidene-4-(2-oxidanylideneethyl)heptanoic acid; 2-(2-methyl-6-phenyl-phenyl)isoindole-1,3-dione Openeye Name: 2-amino-5-oxo-4-(2-oxoethyl)heptanoic acid; 2-(2-methyl-6-phenyl-phenyl)isoindoline-1,3-dione CAS Name: 2-amino-5-oxo-4-(2-oxoethyl)heptanoic acid; 2-(2-methyl-6-phenylphenyl)isoindole-1,3-dione IUPAC Name: 2-amino-5-oxo-4-(2-oxoethyl)heptanoic acid; 2-(2-methyl-6-phenylphenyl)isoindole-1,3-dione Traditional Name: 2-amino-5-keto-4-(2-ketoethyl)enanthic acid; 2-(2-methyl-6-phenyl-phenyl)isoindoline-1,3-quinone Formula: C30H30N2O6 MolecularWeight: 514.569

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(CC=O)CC(C(=O)O)N.CC1=CC=CC(=C1N2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4

Isomeric SMILES

CCC(=O)C(CC=O)CC(C(=O)O)N.CC1=CC=CC(=C1N2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4

InChI

InChI=1S/C21H15NO2.C9H15NO4/c1-14-8-7-13-16(15-9-3-2-4-10-15)19(14)22-20(23)17-11-5-6-12-18(17)21(22)24;1-2-8(12)6(3-4-11)5-7(10)9(13)14/h2-13H,1H3;4,6-7H,2-3,5,10H2,1H3,(H,13,14)