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

Systemtic Name: 2-ethoxy-3-piperidin-1-yl-4-(1-prop-2-ynylindol-3-yl)benzoic acid Openeye Name: 2-ethoxy-3-(1-piperidyl)-4-(1-prop-2-ynylindol-3-yl)benzoic acid CAS Name: 2-ethoxy-3-(1-piperidinyl)-4-(1-prop-2-ynyl-3-indolyl)benzoic acid IUPAC Name: 2-ethoxy-3-piperidin-1-yl-4-(1-prop-2-ynylindol-3-yl)benzoic acid Traditional Name: 2-ethoxy-3-piperidino-4-(1-propargylindol-3-yl)benzoic acid Formula: C25H26N2O3 MolecularWeight: 402.48554

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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/C25H26N2O3/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/h1,6-7,10-13,17H,4-5,8-9,14-16H2,2H3,(H,28,29)