[2-[[2-(diethylamino)-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 2-cyclopropylquinoline-4-carboxylate

Systemtic Name: [2-[[2-(diethylamino)-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 2-cyclopropylquinoline-4-carboxylate Openeye Name: [2-[[2-(diethylamino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl] 2-cyclopropylquinoline-4-carboxylate CAS Name: 2-cyclopropyl-4-quinolinecarboxylic acid [2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-cyclopropylquinoline-4-carboxylate Traditional Name: 2-cyclopropylcinchoninic acid [2-[[2-(diethylamino)-2-keto-ethyl]-methyl-amino]-2-keto-ethyl] ester Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CN(C)C(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3CC3

Isomeric SMILES

CCN(CC)C(=O)CN(C)C(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3CC3

InChI

InChI=1S/C22H27N3O4/c1-4-25(5-2)20(26)13-24(3)21(27)14-29-22(28)17-12-19(15-10-11-15)23-18-9-7-6-8-16(17)18/h6-9,12,15H,4-5,10-11,13-14H2,1-3H3