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

Systemtic Name: 5-[[4-[1-(2-cyclopropylethyl)indol-3-yl]piperidin-1-yl]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[4-[1-(2-cyclopropylethyl)indol-3-yl]-1-piperidyl]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[4-[1-(2-cyclopropylethyl)-3-indolyl]-1-piperidinyl]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[4-[1-(2-cyclopropylethyl)indol-3-yl]piperidin-1-yl]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[4-[1-(2-cyclopropylethyl)indol-3-yl]piperidino]methyl]-2-methoxy-benzoic acid Formula: C27H32N2O3 MolecularWeight: 432.55458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCC(CC2)C3=CN(C4=CC=CC=C43)CCC5CC5)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCC(CC2)C3=CN(C4=CC=CC=C43)CCC5CC5)C(=O)O

InChI

InChI=1S/C27H32N2O3/c1-32-26-9-8-20(16-23(26)27(30)31)17-28-13-11-21(12-14-28)24-18-29(15-10-19-6-7-19)25-5-3-2-4-22(24)25/h2-5,8-9,16,18-19,21H,6-7,10-15,17H2,1H3,(H,30,31)