2-[2-(1,3-benzodioxol-5-yl)-4,6-dimethyl-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)-4,6-dimethyl-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)-4,6-dimethyl-1H-indol-3-yl]acetic acid CAS Name: 2-[2-(1,3-benzodioxol-5-yl)-4,6-dimethyl-1H-indol-3-yl]acetic acid IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)-4,6-dimethyl-1H-indol-3-yl]acetic acid Traditional Name: 2-[2-(1,3-benzodioxol-5-yl)-4,6-dimethyl-1H-indol-3-yl]acetic acid Formula: C19H17NO4 MolecularWeight: 323.34258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)NC(=C2CC(=O)O)C3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)NC(=C2CC(=O)O)C3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C19H17NO4/c1-10-5-11(2)18-13(8-17(21)22)19(20-14(18)6-10)12-3-4-15-16(7-12)24-9-23-15/h3-7,20H,8-9H2,1-2H3,(H,21,22)