3-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl]-1-ethyl-indole-2-carboxylic acid

Systemtic Name: 3-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl]-1-ethyl-indole-2-carboxylic acid Openeye Name: 3-[2-(4-ethoxycarbonyl-1-piperidyl)-2-oxo-ethyl]-1-ethyl-indole-2-carboxylic acid CAS Name: 3-[2-(4-ethoxycarbonyl-1-piperidinyl)-2-oxoethyl]-1-ethyl-2-indolecarboxylic acid IUPAC Name: 3-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]-1-ethylindole-2-carboxylic acid Traditional Name: 3-[2-(4-carbethoxypiperidino)-2-keto-ethyl]-1-ethyl-indole-2-carboxylic acid Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)N3CCC(CC3)C(=O)OCC

Isomeric SMILES

CCN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)N3CCC(CC3)C(=O)OCC

InChI

InChI=1S/C21H26N2O5/c1-3-23-17-8-6-5-7-15(17)16(19(23)20(25)26)13-18(24)22-11-9-14(10-12-22)21(27)28-4-2/h5-8,14H,3-4,9-13H2,1-2H3,(H,25,26)