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

Systemtic Name: [1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethanoyl-2-methyl-indol-5-yl] 2-bromanylbenzoate Openeye Name: [3-acetyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-indol-5-yl] 2-bromobenzoate CAS Name: 2-bromobenzoic 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] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid (3-acetyl-1-homoveratryl-2-methyl-indol-5-yl) ester Formula: C28H26BrNO5 MolecularWeight: 536.41374

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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=C4Br)C(=O)C

Isomeric SMILES

CC1=C(C2=C(N1CCC3=CC(=C(C=C3)OC)OC)C=CC(=C2)OC(=O)C4=CC=CC=C4Br)C(=O)C

InChI

InChI=1S/C28H26BrNO5/c1-17-27(18(2)31)22-16-20(35-28(32)21-7-5-6-8-23(21)29)10-11-24(22)30(17)14-13-19-9-12-25(33-3)26(15-19)34-4/h5-12,15-16H,13-14H2,1-4H3