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

Systemtic Name: 5-[[4-(5-chloranyl-1-prop-2-enyl-indol-3-yl)piperidin-1-yl]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[4-(1-allyl-5-chloro-indol-3-yl)-1-piperidyl]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[4-(5-chloro-1-prop-2-enyl-3-indolyl)-1-piperidinyl]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[4-(5-chloro-1-prop-2-enylindol-3-yl)piperidin-1-yl]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[4-(1-allyl-5-chloro-indol-3-yl)piperidino]methyl]-2-methoxy-benzoic acid Formula: C25H27ClN2O3 MolecularWeight: 438.94648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCC(CC2)C3=CN(C4=C3C=C(C=C4)Cl)CC=C)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCC(CC2)C3=CN(C4=C3C=C(C=C4)Cl)CC=C)C(=O)O

InChI

InChI=1S/C25H27ClN2O3/c1-3-10-28-16-22(20-14-19(26)5-6-23(20)28)18-8-11-27(12-9-18)15-17-4-7-24(31-2)21(13-17)25(29)30/h3-7,13-14,16,18H,1,8-12,15H2,2H3,(H,29,30)