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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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