[2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate

Systemtic Name: [2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-[[[2-(1-cyclohexenyl)ethylamino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-keto-ethyl] ester Formula: C21H23N3O4 MolecularWeight: 381.42502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)NC(=O)COC(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)NC(=O)COC(=O)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H23N3O4/c25-19(24-21(27)22-13-12-15-6-2-1-3-7-15)14-28-20(26)18-11-10-16-8-4-5-9-17(16)23-18/h4-6,8-11H,1-3,7,12-14H2,(H2,22,24,25,27)