[2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxidanylidene-ethyl] 2-oxidanylidene-3,4-dihydro-1H-quinoline-6-carboxylate

Systemtic Name: [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxidanylidene-ethyl] 2-oxidanylidene-3,4-dihydro-1H-quinoline-6-carboxylate Openeye Name: [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxo-ethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate CAS Name: 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate Traditional Name: 2-keto-3,4-dihydro-1H-quinoline-6-carboxylic acid [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-keto-ethyl] ester Formula: C21H20N2O6 MolecularWeight: 396.3933

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC2=C1C=C(C=C2)C(=O)OCC(=O)NCC3COC4=CC=CC=C4O3

Isomeric SMILES

C1CC(=O)NC2=C1C=C(C=C2)C(=O)OCC(=O)NC[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H20N2O6/c24-19-8-6-13-9-14(5-7-16(13)23-19)21(26)28-12-20(25)22-10-15-11-27-17-3-1-2-4-18(17)29-15/h1-5,7,9,15H,6,8,10-12H2,(H,22,25)(H,23,24)/t15-/m0/s1