[2-[(2-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-propan-2-ylquinoline-4-carboxylate

Systemtic Name: [2-[(2-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-propan-2-ylquinoline-4-carboxylate Openeye Name: [2-[(2-methylcyclohexyl)amino]-2-oxo-ethyl] 2-isopropylquinoline-4-carboxylate CAS Name: 2-propan-2-yl-4-quinolinecarboxylic acid [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-propan-2-ylquinoline-4-carboxylate Traditional Name: 2-isopropylcinchoninic acid [2-keto-2-[(2-methylcyclohexyl)amino]ethyl] ester Formula: C22H28N2O3 MolecularWeight: 368.46932

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C(C)C

Isomeric SMILES

CC1CCCCC1NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C(C)C

InChI

InChI=1S/C22H28N2O3/c1-14(2)20-12-17(16-9-5-7-11-19(16)23-20)22(26)27-13-21(25)24-18-10-6-4-8-15(18)3/h5,7,9,11-12,14-15,18H,4,6,8,10,13H2,1-3H3,(H,24,25)