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

Systemtic Name: 2-methoxy-5-[[4-[1-(2-propoxyethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[4-[1-(2-propoxyethyl)indol-3-yl]-1-piperidyl]methyl]benzoic acid CAS Name: 2-methoxy-5-[[4-[1-(2-propoxyethyl)-3-indolyl]-1-piperidinyl]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[4-[1-(2-propoxyethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[4-[1-(2-propoxyethyl)indol-3-yl]piperidino]methyl]benzoic acid Formula: C27H34N2O4 MolecularWeight: 450.56986

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCCN1C=C(C2=CC=CC=C21)C3CCN(CC3)CC4=CC(=C(C=C4)OC)C(=O)O

Isomeric SMILES

CCCOCCN1C=C(C2=CC=CC=C21)C3CCN(CC3)CC4=CC(=C(C=C4)OC)C(=O)O

InChI

InChI=1S/C27H34N2O4/c1-3-15-33-16-14-29-19-24(22-6-4-5-7-25(22)29)21-10-12-28(13-11-21)18-20-8-9-26(32-2)23(17-20)27(30)31/h4-9,17,19,21H,3,10-16,18H2,1-2H3,(H,30,31)