[2-[(3,4-dimethoxyphenyl)methyl-ethyl-amino]-2-oxidanylidene-ethyl] 2-ethyl-4-methyl-quinoline-3-carboxylate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methyl-ethyl-amino]-2-oxidanylidene-ethyl] 2-ethyl-4-methyl-quinoline-3-carboxylate Openeye Name: [2-[(3,4-dimethoxyphenyl)methyl-ethyl-amino]-2-oxo-ethyl] 2-ethyl-4-methyl-quinoline-3-carboxylate CAS Name: 2-ethyl-4-methyl-3-quinolinecarboxylic acid [2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate Traditional Name: 2-ethyl-4-methyl-quinoline-3-carboxylic acid [2-[ethyl(veratryl)amino]-2-keto-ethyl] ester Formula: C26H30N2O5 MolecularWeight: 450.5268

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C(=O)OCC(=O)N(CC)CC3=CC(=C(C=C3)OC)OC)C

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C(=O)OCC(=O)N(CC)CC3=CC(=C(C=C3)OC)OC)C

InChI

InChI=1S/C26H30N2O5/c1-6-20-25(17(3)19-10-8-9-11-21(19)27-20)26(30)33-16-24(29)28(7-2)15-18-12-13-22(31-4)23(14-18)32-5/h8-14H,6-7,15-16H2,1-5H3