2-[4-[(1,4-dimethylindol-3-yl)methyl]-1-oxidanylidene-phthalazin-2-yl]ethanoic acid

Systemtic Name: 2-[4-[(1,4-dimethylindol-3-yl)methyl]-1-oxidanylidene-phthalazin-2-yl]ethanoic acid Openeye Name: 2-[4-[(1,4-dimethylindol-3-yl)methyl]-1-oxo-phthalazin-2-yl]acetic acid CAS Name: 2-[4-[(1,4-dimethyl-3-indolyl)methyl]-1-oxo-2-phthalazinyl]acetic acid IUPAC Name: 2-[4-[(1,4-dimethylindol-3-yl)methyl]-1-oxophthalazin-2-yl]acetic acid Traditional Name: 2-[4-[(1,4-dimethylindol-3-yl)methyl]-1-keto-phthalazin-2-yl]acetic acid Formula: C21H19N3O3 MolecularWeight: 361.39386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N(C=C2CC3=NN(C(=O)C4=CC=CC=C43)CC(=O)O)C

Isomeric SMILES

CC1=C2C(=CC=C1)N(C=C2CC3=NN(C(=O)C4=CC=CC=C43)CC(=O)O)C

InChI

InChI=1S/C21H19N3O3/c1-13-6-5-9-18-20(13)14(11-23(18)2)10-17-15-7-3-4-8-16(15)21(27)24(22-17)12-19(25)26/h3-9,11H,10,12H2,1-2H3,(H,25,26)