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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2C3=CC=CC=C3C(=C2C(=O)O)C4=CC=C(C=C4)OCC5CC5

Isomeric SMILES

COC1=CC=CC(=C1)CN2C3=CC=CC=C3C(=C2C(=O)O)C4=CC=C(C=C4)OCC5CC5

InChI

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