2-[2-[4-(1-butylindol-3-yl)piperidin-1-yl]ethoxy]-4-chloranyl-benzoic acid

Systemtic Name: 2-[2-[4-(1-butylindol-3-yl)piperidin-1-yl]ethoxy]-4-chloranyl-benzoic acid Openeye Name: 2-[2-[4-(1-butylindol-3-yl)-1-piperidyl]ethoxy]-4-chloro-benzoic acid CAS Name: 2-[2-[4-(1-butyl-3-indolyl)-1-piperidinyl]ethoxy]-4-chlorobenzoic acid IUPAC Name: 2-[2-[4-(1-butylindol-3-yl)piperidin-1-yl]ethoxy]-4-chlorobenzoic acid Traditional Name: 2-[2-[4-(1-butylindol-3-yl)piperidino]ethoxy]-4-chloro-benzoic acid Formula: C26H31ClN2O3 MolecularWeight: 454.98894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C2=CC=CC=C21)C3CCN(CC3)CCOC4=C(C=CC(=C4)Cl)C(=O)O

Isomeric SMILES

CCCCN1C=C(C2=CC=CC=C21)C3CCN(CC3)CCOC4=C(C=CC(=C4)Cl)C(=O)O

InChI

InChI=1S/C26H31ClN2O3/c1-2-3-12-29-18-23(21-6-4-5-7-24(21)29)19-10-13-28(14-11-19)15-16-32-25-17-20(27)8-9-22(25)26(30)31/h4-9,17-19H,2-3,10-16H2,1H3,(H,30,31)