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

Systemtic Name: 5-[[4-[5-chloranyl-1-(2-methoxyethyl)indol-3-yl]piperidin-1-yl]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[4-[5-chloro-1-(2-methoxyethyl)indol-3-yl]-1-piperidyl]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[4-[5-chloro-1-(2-methoxyethyl)-3-indolyl]-1-piperidinyl]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[4-[5-chloro-1-(2-methoxyethyl)indol-3-yl]piperidin-1-yl]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[4-[5-chloro-1-(2-methoxyethyl)indol-3-yl]piperidino]methyl]-2-methoxy-benzoic acid Formula: C25H29ClN2O4 MolecularWeight: 456.96176

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C=C(C2=C1C=CC(=C2)Cl)C3CCN(CC3)CC4=CC(=C(C=C4)OC)C(=O)O

Isomeric SMILES

COCCN1C=C(C2=C1C=CC(=C2)Cl)C3CCN(CC3)CC4=CC(=C(C=C4)OC)C(=O)O

InChI

InChI=1S/C25H29ClN2O4/c1-31-12-11-28-16-22(20-14-19(26)4-5-23(20)28)18-7-9-27(10-8-18)15-17-3-6-24(32-2)21(13-17)25(29)30/h3-6,13-14,16,18H,7-12,15H2,1-2H3,(H,29,30)