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

Systemtic Name: 3-[[4-[5-chloranyl-1-(2-methoxyethyl)indol-3-yl]piperidin-1-yl]methyl]-2-methoxy-benzoic acid Openeye Name: 3-[[4-[5-chloro-1-(2-methoxyethyl)indol-3-yl]-1-piperidyl]methyl]-2-methoxy-benzoic acid CAS Name: 3-[[4-[5-chloro-1-(2-methoxyethyl)-3-indolyl]-1-piperidinyl]methyl]-2-methoxybenzoic acid IUPAC Name: 3-[[4-[5-chloro-1-(2-methoxyethyl)indol-3-yl]piperidin-1-yl]methyl]-2-methoxybenzoic acid Traditional Name: 3-[[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=CC(=C4OC)C(=O)O

Isomeric SMILES

COCCN1C=C(C2=C1C=CC(=C2)Cl)C3CCN(CC3)CC4=CC=CC(=C4OC)C(=O)O

InChI

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