2-[4-oxidanylidene-5-[(2,4,6-trimethylphenyl)methyl]pyridazino[4,5-b]indol-3-yl]ethanoic acid

Systemtic Name: 2-[4-oxidanylidene-5-[(2,4,6-trimethylphenyl)methyl]pyridazino[4,5-b]indol-3-yl]ethanoic acid Openeye Name: 2-[4-oxo-5-[(2,4,6-trimethylphenyl)methyl]pyridazino[4,5-b]indol-3-yl]acetic acid CAS Name: 2-[4-oxo-5-[(2,4,6-trimethylphenyl)methyl]-3-pyridazino[4,5-b]indolyl]acetic acid IUPAC Name: 2-[4-oxo-5-[(2,4,6-trimethylphenyl)methyl]pyridazino[4,5-b]indol-3-yl]acetic acid Traditional Name: 2-[4-keto-5-(2,4,6-trimethylbenzyl)pyridazin[4,5-b]indol-3-yl]acetic acid Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)CN2C3=CC=CC=C3C4=C2C(=O)N(N=C4)CC(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)CN2C3=CC=CC=C3C4=C2C(=O)N(N=C4)CC(=O)O)C

InChI

InChI=1S/C22H21N3O3/c1-13-8-14(2)18(15(3)9-13)11-24-19-7-5-4-6-16(19)17-10-23-25(12-20(26)27)22(28)21(17)24/h4-10H,11-12H2,1-3H3,(H,26,27)