[2-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxidanylidene-ethyl] quinoline-8-carboxylate

Systemtic Name: [2-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxidanylidene-ethyl] quinoline-8-carboxylate Openeye Name: [2-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxo-ethyl] quinoline-8-carboxylate CAS Name: 8-quinolinecarboxylic acid [2-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl] quinoline-8-carboxylate Traditional Name: quinoline-8-carboxylic acid [2-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-keto-ethyl] ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=C1)OC)OC)NC(=O)COC(=O)C2=CC=CC3=C2N=CC=C3

Isomeric SMILES

C[C@@H](C1=C(C=CC(=C1)OC)OC)NC(=O)COC(=O)C2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C22H22N2O5/c1-14(18-12-16(27-2)9-10-19(18)28-3)24-20(25)13-29-22(26)17-8-4-6-15-7-5-11-23-21(15)17/h4-12,14H,13H2,1-3H3,(H,24,25)/t14-/m0/s1