2-[2-[4-[1-(3-methylbutyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid

Systemtic Name: 2-[2-[4-[1-(3-methylbutyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid Openeye Name: 2-[2-[4-(1-isopentylindol-3-yl)-1-piperidyl]ethoxy]benzoic acid CAS Name: 2-[2-[4-[1-(3-methylbutyl)-3-indolyl]-1-piperidinyl]ethoxy]benzoic acid IUPAC Name: 2-[2-[4-[1-(3-methylbutyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid Traditional Name: 2-[2-[4-(1-isoamylindol-3-yl)piperidino]ethoxy]benzoic acid Formula: C27H34N2O3 MolecularWeight: 434.57046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C=C(C2=CC=CC=C21)C3CCN(CC3)CCOC4=CC=CC=C4C(=O)O

Isomeric SMILES

CC(C)CCN1C=C(C2=CC=CC=C21)C3CCN(CC3)CCOC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C27H34N2O3/c1-20(2)11-16-29-19-24(22-7-3-5-9-25(22)29)21-12-14-28(15-13-21)17-18-32-26-10-6-4-8-23(26)27(30)31/h3-10,19-21H,11-18H2,1-2H3,(H,30,31)