[1-[(2-methylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2,6-dimethylquinoline-4-carboxylate

Systemtic Name: [1-[(2-methylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2,6-dimethylquinoline-4-carboxylate Openeye Name: [1-methyl-2-[(2-methylcyclohexyl)amino]-2-oxo-ethyl] 2,6-dimethylquinoline-4-carboxylate CAS Name: 2,6-dimethyl-4-quinolinecarboxylic acid [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2,6-dimethylquinoline-4-carboxylate Traditional Name: 2,6-dimethylcinchoninic acid [2-keto-1-methyl-2-[(2-methylcyclohexyl)amino]ethyl] ester Formula: C22H28N2O3 MolecularWeight: 368.46932

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(C)OC(=O)C2=CC(=NC3=C2C=C(C=C3)C)C

Isomeric SMILES

CC1CCCCC1NC(=O)C(C)OC(=O)C2=CC(=NC3=C2C=C(C=C3)C)C

InChI

InChI=1S/C22H28N2O3/c1-13-9-10-20-17(11-13)18(12-15(3)23-20)22(26)27-16(4)21(25)24-19-8-6-5-7-14(19)2/h9-12,14,16,19H,5-8H2,1-4H3,(H,24,25)