3-[2-(3,4-dimethylphenyl)-5-methyl-1H-indol-3-yl]propanoate

Systemtic Name: 3-[2-(3,4-dimethylphenyl)-5-methyl-1H-indol-3-yl]propanoate Openeye Name: 3-[2-(3,4-dimethylphenyl)-5-methyl-1H-indol-3-yl]propanoate CAS Name: 3-[2-(3,4-dimethylphenyl)-5-methyl-1H-indol-3-yl]propanoate IUPAC Name: 3-[2-(3,4-dimethylphenyl)-5-methyl-1H-indol-3-yl]propanoate Traditional Name: 3-[2-(3,4-dimethylphenyl)-5-methyl-1H-indol-3-yl]propionate Formula: C20H20NO2- MolecularWeight: 306.3783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2CCC(=O)[O-])C3=CC(=C(C=C3)C)C

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2CCC(=O)[O-])C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C20H21NO2/c1-12-4-8-18-17(10-12)16(7-9-19(22)23)20(21-18)15-6-5-13(2)14(3)11-15/h4-6,8,10-11,21H,7,9H2,1-3H3,(H,22,23)/p-1