3-[3-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]propoxy]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C=C(C2=CC=CC=C21)C3CCN(CC3)CCCOC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CCOCCN1C=C(C2=CC=CC=C21)C3CCN(CC3)CCCOC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C27H34N2O4/c1-2-32-18-16-29-20-25(24-9-3-4-10-26(24)29)21-11-14-28(15-12-21)13-6-17-33-23-8-5-7-22(19-23)27(30)31/h3-5,7-10,19-21H,2,6,11-18H2,1H3,(H,30,31)