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

Systemtic Name: [1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethanoyl-2-methyl-indol-5-yl] benzoate Openeye Name: [3-acetyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-indol-5-yl] benzoate CAS Name: benzoic 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] benzoate Traditional Name: benzoic acid (3-acetyl-1-homoveratryl-2-methyl-indol-5-yl) ester Formula: C28H27NO5 MolecularWeight: 457.51768

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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)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)C(=O)C

InChI

InChI=1S/C28H27NO5/c1-18-27(19(2)30)23-17-22(34-28(31)21-8-6-5-7-9-21)11-12-24(23)29(18)15-14-20-10-13-25(32-3)26(16-20)33-4/h5-13,16-17H,14-15H2,1-4H3