[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate

Systemtic Name: [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-keto-ethyl] ester Formula: C24H26N2O5 MolecularWeight: 422.47364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)COC(=O)C2=NC3=CC=CC=C3C=C2)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)COC(=O)C2=NC3=CC=CC=C3C=C2)OCC

InChI

InChI=1S/C24H26N2O5/c1-3-29-21-12-9-17(15-22(21)30-4-2)13-14-25-23(27)16-31-24(28)20-11-10-18-7-5-6-8-19(18)26-20/h5-12,15H,3-4,13-14,16H2,1-2H3,(H,25,27)