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

Systemtic Name: 2-ethoxy-3-piperidin-1-yl-4-(1-prop-2-enylindol-3-yl)benzoic acid Openeye Name: 4-(1-allylindol-3-yl)-2-ethoxy-3-(1-piperidyl)benzoic acid CAS Name: 2-ethoxy-3-(1-piperidinyl)-4-(1-prop-2-enyl-3-indolyl)benzoic acid IUPAC Name: 2-ethoxy-3-piperidin-1-yl-4-(1-prop-2-enylindol-3-yl)benzoic acid Traditional Name: 4-(1-allylindol-3-yl)-2-ethoxy-3-piperidino-benzoic acid Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1N2CCCCC2)C3=CN(C4=CC=CC=C43)CC=C)C(=O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1N2CCCCC2)C3=CN(C4=CC=CC=C43)CC=C)C(=O)O

InChI

InChI=1S/C25H28N2O3/c1-3-14-27-17-21(18-10-6-7-11-22(18)27)19-12-13-20(25(28)29)24(30-4-2)23(19)26-15-8-5-9-16-26/h3,6-7,10-13,17H,1,4-5,8-9,14-16H2,2H3,(H,28,29)