1-[[3-(cyclopropylmethoxy)phenyl]methyl]-3-(4-methoxyphenyl)indole-2-carboxylic acid

Systemtic Name: 1-[[3-(cyclopropylmethoxy)phenyl]methyl]-3-(4-methoxyphenyl)indole-2-carboxylic acid Openeye Name: 1-[[3-(cyclopropylmethoxy)phenyl]methyl]-3-(4-methoxyphenyl)indole-2-carboxylic acid CAS Name: 1-[[3-(cyclopropylmethoxy)phenyl]methyl]-3-(4-methoxyphenyl)-2-indolecarboxylic acid IUPAC Name: 1-[[3-(cyclopropylmethoxy)phenyl]methyl]-3-(4-methoxyphenyl)indole-2-carboxylic acid Traditional Name: 1-[3-(cyclopropylmethoxy)benzyl]-3-(4-methoxyphenyl)indole-2-carboxylic acid Formula: C27H25NO4 MolecularWeight: 427.4917

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(N(C3=CC=CC=C32)CC4=CC(=CC=C4)OCC5CC5)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(N(C3=CC=CC=C32)CC4=CC(=CC=C4)OCC5CC5)C(=O)O

InChI

InChI=1S/C27H25NO4/c1-31-21-13-11-20(12-14-21)25-23-7-2-3-8-24(23)28(26(25)27(29)30)16-19-5-4-6-22(15-19)32-17-18-9-10-18/h2-8,11-15,18H,9-10,16-17H2,1H3,(H,29,30)