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

Systemtic Name: 2-[2-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]ethoxy]-5-methyl-benzoic acid Openeye Name: 2-[2-[4-[1-(2-ethoxyethyl)indol-3-yl]-1-piperidyl]ethoxy]-5-methyl-benzoic acid CAS Name: 2-[2-[4-[1-(2-ethoxyethyl)-3-indolyl]-1-piperidinyl]ethoxy]-5-methylbenzoic acid IUPAC Name: 2-[2-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]ethoxy]-5-methylbenzoic acid Traditional Name: 2-[2-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidino]ethoxy]-5-methyl-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)CCOC4=C(C=C(C=C4)C)C(=O)O

Isomeric SMILES

CCOCCN1C=C(C2=CC=CC=C21)C3CCN(CC3)CCOC4=C(C=C(C=C4)C)C(=O)O

InChI

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