2-methoxy-3-[[4-(1-prop-2-enylindol-3-yl)piperidin-1-yl]methyl]benzoic acid

Systemtic Name: 2-methoxy-3-[[4-(1-prop-2-enylindol-3-yl)piperidin-1-yl]methyl]benzoic acid Openeye Name: 3-[[4-(1-allylindol-3-yl)-1-piperidyl]methyl]-2-methoxy-benzoic acid CAS Name: 2-methoxy-3-[[4-(1-prop-2-enyl-3-indolyl)-1-piperidinyl]methyl]benzoic acid IUPAC Name: 2-methoxy-3-[[4-(1-prop-2-enylindol-3-yl)piperidin-1-yl]methyl]benzoic acid Traditional Name: 3-[[4-(1-allylindol-3-yl)piperidino]methyl]-2-methoxy-benzoic acid Formula: C25H28N2O3 MolecularWeight: 404.50142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC=C1CN2CCC(CC2)C3=CN(C4=CC=CC=C43)CC=C)C(=O)O

Isomeric SMILES

COC1=C(C=CC=C1CN2CCC(CC2)C3=CN(C4=CC=CC=C43)CC=C)C(=O)O

InChI

InChI=1S/C25H28N2O3/c1-3-13-27-17-22(20-8-4-5-10-23(20)27)18-11-14-26(15-12-18)16-19-7-6-9-21(25(28)29)24(19)30-2/h3-10,17-18H,1,11-16H2,2H3,(H,28,29)