2-[5-[(2-methylphenyl)methyl]-4-oxidanylidene-pyridazino[4,5-b]indol-3-yl]ethanoic acid

Systemtic Name: 2-[5-[(2-methylphenyl)methyl]-4-oxidanylidene-pyridazino[4,5-b]indol-3-yl]ethanoic acid Openeye Name: 2-[5-(o-tolylmethyl)-4-oxo-pyridazino[4,5-b]indol-3-yl]acetic acid CAS Name: 2-[5-[(2-methylphenyl)methyl]-4-oxo-3-pyridazino[4,5-b]indolyl]acetic acid IUPAC Name: 2-[5-[(2-methylphenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]acetic acid Traditional Name: 2-[4-keto-5-(2-methylbenzyl)pyridazin[4,5-b]indol-3-yl]acetic acid Formula: C20H17N3O3 MolecularWeight: 347.36728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C3=CC=CC=C3C4=C2C(=O)N(N=C4)CC(=O)O

Isomeric SMILES

CC1=CC=CC=C1CN2C3=CC=CC=C3C4=C2C(=O)N(N=C4)CC(=O)O

InChI

InChI=1S/C20H17N3O3/c1-13-6-2-3-7-14(13)11-22-17-9-5-4-8-15(17)16-10-21-23(12-18(24)25)20(26)19(16)22/h2-10H,11-12H2,1H3,(H,24,25)