1-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxy-2-methyl-indole-3-carboxylic acid

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxy-2-methyl-indole-3-carboxylic acid Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxy-2-methyl-indole-3-carboxylic acid CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxy-2-methyl-3-indolecarboxylic acid IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxy-2-methylindole-3-carboxylic acid Traditional Name: 1-homoveratryl-5-methoxy-2-methyl-indole-3-carboxylic acid Formula: C21H23NO5 MolecularWeight: 369.41102

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)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO5/c1-13-20(21(23)24)16-12-15(25-2)6-7-17(16)22(13)10-9-14-5-8-18(26-3)19(11-14)27-4/h5-8,11-12H,9-10H2,1-4H3,(H,23,24)