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

Systemtic Name: 2-[4-[(1,4-dimethylindol-3-yl)methyl]-1-oxidanylidene-phthalazin-2-yl]-2-phenyl-ethanoic acid Openeye Name: 2-[4-[(1,4-dimethylindol-3-yl)methyl]-1-oxo-phthalazin-2-yl]-2-phenyl-acetic acid CAS Name: 2-[4-[(1,4-dimethyl-3-indolyl)methyl]-1-oxo-2-phthalazinyl]-2-phenylacetic acid IUPAC Name: 2-[4-[(1,4-dimethylindol-3-yl)methyl]-1-oxophthalazin-2-yl]-2-phenylacetic acid Traditional Name: 2-[4-[(1,4-dimethylindol-3-yl)methyl]-1-keto-phthalazin-2-yl]-2-phenyl-acetic acid Formula: C27H23N3O3 MolecularWeight: 437.48982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N(C=C2CC3=NN(C(=O)C4=CC=CC=C43)C(C5=CC=CC=C5)C(=O)O)C

Isomeric SMILES

CC1=C2C(=CC=C1)N(C=C2CC3=NN(C(=O)C4=CC=CC=C43)C(C5=CC=CC=C5)C(=O)O)C

InChI

InChI=1S/C27H23N3O3/c1-17-9-8-14-23-24(17)19(16-29(23)2)15-22-20-12-6-7-13-21(20)26(31)30(28-22)25(27(32)33)18-10-4-3-5-11-18/h3-14,16,25H,15H2,1-2H3,(H,32,33)