2-[2-methyl-3-(4-oxidanylidene-3-phenethyl-4a,5,8,8a-tetrahydrophthalazin-1-yl)indol-1-yl]ethanoic acid

Systemtic Name: 2-[2-methyl-3-(4-oxidanylidene-3-phenethyl-4a,5,8,8a-tetrahydrophthalazin-1-yl)indol-1-yl]ethanoic acid Openeye Name: 2-[2-methyl-3-(4-oxo-3-phenethyl-4a,5,8,8a-tetrahydrophthalazin-1-yl)indol-1-yl]acetic acid CAS Name: 2-[2-methyl-3-(4-oxo-3-phenethyl-4a,5,8,8a-tetrahydrophthalazin-1-yl)-1-indolyl]acetic acid IUPAC Name: 2-[2-methyl-3-(4-oxo-3-phenethyl-4a,5,8,8a-tetrahydrophthalazin-1-yl)indol-1-yl]acetic acid Traditional Name: 2-[3-(4-keto-3-phenethyl-4a,5,8,8a-tetrahydrophthalazin-1-yl)-2-methyl-indol-1-yl]acetic acid Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1CC(=O)O)C3=NN(C(=O)C4C3CC=CC4)CCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1CC(=O)O)C3=NN(C(=O)C4C3CC=CC4)CCC5=CC=CC=C5

InChI

InChI=1S/C27H27N3O3/c1-18-25(22-13-7-8-14-23(22)29(18)17-24(31)32)26-20-11-5-6-12-21(20)27(33)30(28-26)16-15-19-9-3-2-4-10-19/h2-10,13-14,20-21H,11-12,15-17H2,1H3,(H,31,32)