[1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethanoyl-2-methyl-indol-5-yl] 3-chloranylbenzoate

Systemtic Name: [1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethanoyl-2-methyl-indol-5-yl] 3-chloranylbenzoate Openeye Name: [3-acetyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-indol-5-yl] 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [3-acetyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-indolyl] ester IUPAC Name: [3-acetyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylindol-5-yl] 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid (3-acetyl-1-homoveratryl-2-methyl-indol-5-yl) ester Formula: C28H26ClNO5 MolecularWeight: 491.96274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CCC3=CC(=C(C=C3)OC)OC)C=CC(=C2)OC(=O)C4=CC(=CC=C4)Cl)C(=O)C

Isomeric SMILES

CC1=C(C2=C(N1CCC3=CC(=C(C=C3)OC)OC)C=CC(=C2)OC(=O)C4=CC(=CC=C4)Cl)C(=O)C

InChI

InChI=1S/C28H26ClNO5/c1-17-27(18(2)31)23-16-22(35-28(32)20-6-5-7-21(29)15-20)9-10-24(23)30(17)13-12-19-8-11-25(33-3)26(14-19)34-4/h5-11,14-16H,12-13H2,1-4H3