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

Systemtic Name: 1-[(3-methoxyphenyl)methyl]-3-[4-(oxan-2-ylmethoxy)phenyl]indole-2-carboxylic acid Openeye Name: 1-[(3-methoxyphenyl)methyl]-3-[4-(tetrahydropyran-2-ylmethoxy)phenyl]indole-2-carboxylic acid CAS Name: 1-[(3-methoxyphenyl)methyl]-3-[4-(2-oxanylmethoxy)phenyl]-2-indolecarboxylic acid IUPAC Name: 1-[(3-methoxyphenyl)methyl]-3-[4-(oxan-2-ylmethoxy)phenyl]indole-2-carboxylic acid Traditional Name: 1-m-anisyl-3-[4-(tetrahydropyran-2-ylmethoxy)phenyl]indole-2-carboxylic acid Formula: C29H29NO5 MolecularWeight: 471.54426

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)OCC5CCCCO5

Isomeric SMILES

COC1=CC=CC(=C1)CN2C3=CC=CC=C3C(=C2C(=O)O)C4=CC=C(C=C4)OCC5CCCCO5

InChI

InChI=1S/C29H29NO5/c1-33-23-9-6-7-20(17-23)18-30-26-11-3-2-10-25(26)27(28(30)29(31)32)21-12-14-22(15-13-21)35-19-24-8-4-5-16-34-24/h2-3,6-7,9-15,17,24H,4-5,8,16,18-19H2,1H3,(H,31,32)