[2-[[3,5-bis(chloranyl)-4-methyl-pyridin-2-yl]amino]-2-oxidanylidene-ethyl] 2-propan-2-ylquinoline-4-carboxylate

Systemtic Name: [2-[[3,5-bis(chloranyl)-4-methyl-pyridin-2-yl]amino]-2-oxidanylidene-ethyl] 2-propan-2-ylquinoline-4-carboxylate Openeye Name: [2-[(3,5-dichloro-4-methyl-2-pyridyl)amino]-2-oxo-ethyl] 2-isopropylquinoline-4-carboxylate CAS Name: 2-propan-2-yl-4-quinolinecarboxylic acid [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,5-dichloro-4-methylpyridin-2-yl)amino]-2-oxoethyl] 2-propan-2-ylquinoline-4-carboxylate Traditional Name: 2-isopropylcinchoninic acid [2-[(3,5-dichloro-4-methyl-2-pyridyl)amino]-2-keto-ethyl] ester Formula: C21H19Cl2N3O3 MolecularWeight: 432.29986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC=C1Cl)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C(C)C)Cl

Isomeric SMILES

CC1=C(C(=NC=C1Cl)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C(C)C)Cl

InChI

InChI=1S/C21H19Cl2N3O3/c1-11(2)17-8-14(13-6-4-5-7-16(13)25-17)21(28)29-10-18(27)26-20-19(23)12(3)15(22)9-24-20/h4-9,11H,10H2,1-3H3,(H,24,26,27)