2-[6-methyl-5-(4-methylphenyl)carbonyl-[1,3]dioxolo[4,5-f]indol-7-yl]ethanoic acid

Systemtic Name: 2-[6-methyl-5-(4-methylphenyl)carbonyl-[1,3]dioxolo[4,5-f]indol-7-yl]ethanoic acid Openeye Name: 2-[6-methyl-5-(4-methylbenzoyl)-[1,3]dioxolo[4,5-f]indol-7-yl]acetic acid CAS Name: 2-[6-methyl-5-[(4-methylphenyl)-oxomethyl]-[1,3]dioxolo[4,5-f]indol-7-yl]acetic acid IUPAC Name: 2-[6-methyl-5-(4-methylbenzoyl)-[1,3]dioxolo[4,5-f]indol-7-yl]acetic acid Traditional Name: 2-(6-methyl-5-p-toluoyl-[1,3]dioxol[4,5-f]indol-7-yl)acetic acid Formula: C20H17NO5 MolecularWeight: 351.35268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2C(=C(C3=CC4=C(C=C32)OCO4)CC(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2C(=C(C3=CC4=C(C=C32)OCO4)CC(=O)O)C

InChI

InChI=1S/C20H17NO5/c1-11-3-5-13(6-4-11)20(24)21-12(2)14(8-19(22)23)15-7-17-18(9-16(15)21)26-10-25-17/h3-7,9H,8,10H2,1-2H3,(H,22,23)