2-ethoxy-4-(1-hexylindol-3-yl)-3-piperidin-1-yl-benzoic acid

Systemtic Name: 2-ethoxy-4-(1-hexylindol-3-yl)-3-piperidin-1-yl-benzoic acid Openeye Name: 2-ethoxy-4-(1-hexylindol-3-yl)-3-(1-piperidyl)benzoic acid CAS Name: 2-ethoxy-4-(1-hexyl-3-indolyl)-3-(1-piperidinyl)benzoic acid IUPAC Name: 2-ethoxy-4-(1-hexylindol-3-yl)-3-piperidin-1-ylbenzoic acid Traditional Name: 2-ethoxy-4-(1-hexylindol-3-yl)-3-piperidino-benzoic acid Formula: C28H36N2O3 MolecularWeight: 448.59704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C=C(C2=CC=CC=C21)C3=C(C(=C(C=C3)C(=O)O)OCC)N4CCCCC4

Isomeric SMILES

CCCCCCN1C=C(C2=CC=CC=C21)C3=C(C(=C(C=C3)C(=O)O)OCC)N4CCCCC4

InChI

InChI=1S/C28H36N2O3/c1-3-5-6-10-19-30-20-24(21-13-8-9-14-25(21)30)22-15-16-23(28(31)32)27(33-4-2)26(22)29-17-11-7-12-18-29/h8-9,13-16,20H,3-7,10-12,17-19H2,1-2H3,(H,31,32)