[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxidanylidene-ethyl] quinoline-2-carboxylate

Systemtic Name: [2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-(chroman-4-ylamino)-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-(3,4-dihydro-2H-1-benzopyran-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-(chroman-4-ylamino)-2-keto-ethyl] ester Formula: C21H18N2O4 MolecularWeight: 362.37862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2C1NC(=O)COC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1COC2=CC=CC=C2C1NC(=O)COC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H18N2O4/c24-20(23-17-11-12-26-19-8-4-2-6-15(17)19)13-27-21(25)18-10-9-14-5-1-3-7-16(14)22-18/h1-10,17H,11-13H2,(H,23,24)