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

Systemtic Name: 5-[[4-[5-chloranyl-1-(cyclohexylmethyl)indol-3-yl]piperidin-1-yl]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[4-[5-chloro-1-(cyclohexylmethyl)indol-3-yl]-1-piperidyl]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[4-[5-chloro-1-(cyclohexylmethyl)-3-indolyl]-1-piperidinyl]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[4-[5-chloro-1-(cyclohexylmethyl)indol-3-yl]piperidin-1-yl]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[4-[5-chloro-1-(cyclohexylmethyl)indol-3-yl]piperidino]methyl]-2-methoxy-benzoic acid Formula: C29H35ClN2O3 MolecularWeight: 495.0528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCC(CC2)C3=CN(C4=C3C=C(C=C4)Cl)CC5CCCCC5)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCC(CC2)C3=CN(C4=C3C=C(C=C4)Cl)CC5CCCCC5)C(=O)O

InChI

InChI=1S/C29H35ClN2O3/c1-35-28-10-7-21(15-25(28)29(33)34)17-31-13-11-22(12-14-31)26-19-32(18-20-5-3-2-4-6-20)27-9-8-23(30)16-24(26)27/h7-10,15-16,19-20,22H,2-6,11-14,17-18H2,1H3,(H,33,34)