2-methoxy-5-[[4-(1-prop-2-enylindol-3-yl)piperidin-1-yl]methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[[4-(1-prop-2-enylindol-3-yl)piperidin-1-yl]methyl]benzoic acid Openeye Name: 5-[[4-(1-allylindol-3-yl)-1-piperidyl]methyl]-2-methoxy-benzoic acid CAS Name: 2-methoxy-5-[[4-(1-prop-2-enyl-3-indolyl)-1-piperidinyl]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[4-(1-prop-2-enylindol-3-yl)piperidin-1-yl]methyl]benzoic acid Traditional Name: 5-[[4-(1-allylindol-3-yl)piperidino]methyl]-2-methoxy-benzoic acid Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCC(CC2)C3=CN(C4=CC=CC=C43)CC=C)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCC(CC2)C3=CN(C4=CC=CC=C43)CC=C)C(=O)O

InChI

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