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

Systemtic Name: 2-ethoxy-4-(1-heptylindol-3-yl)-3-piperidin-1-yl-benzoic acid Openeye Name: 2-ethoxy-4-(1-heptylindol-3-yl)-3-(1-piperidyl)benzoic acid CAS Name: 2-ethoxy-4-(1-heptyl-3-indolyl)-3-(1-piperidinyl)benzoic acid IUPAC Name: 2-ethoxy-4-(1-heptylindol-3-yl)-3-piperidin-1-ylbenzoic acid Traditional Name: 2-ethoxy-4-(1-heptylindol-3-yl)-3-piperidino-benzoic acid Formula: C29H38N2O3 MolecularWeight: 462.62362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C=C(C2=CC=CC=C21)C3=C(C(=C(C=C3)C(=O)O)OCC)N4CCCCC4

Isomeric SMILES

CCCCCCCN1C=C(C2=CC=CC=C21)C3=C(C(=C(C=C3)C(=O)O)OCC)N4CCCCC4

InChI

InChI=1S/C29H38N2O3/c1-3-5-6-7-11-20-31-21-25(22-14-9-10-15-26(22)31)23-16-17-24(29(32)33)28(34-4-2)27(23)30-18-12-8-13-19-30/h9-10,14-17,21H,3-8,11-13,18-20H2,1-2H3,(H,32,33)