[2-[methyl-(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoate

Systemtic Name: [2-[methyl-(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoate Openeye Name: [2-[methyl-(4-methylcyclohexyl)amino]-2-oxo-ethyl] 3-(4-oxo-1H-quinazolin-2-yl)propanoate CAS Name: 3-(4-oxo-1H-quinazolin-2-yl)propanoic acid [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(4-oxo-1H-quinazolin-2-yl)propanoate Traditional Name: 3-(4-keto-1H-quinazolin-2-yl)propionic acid [2-keto-2-[methyl-(4-methylcyclohexyl)amino]ethyl] ester Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)N(C)C(=O)COC(=O)CCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC1CCC(CC1)N(C)C(=O)COC(=O)CCC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C21H27N3O4/c1-14-7-9-15(10-8-14)24(2)19(25)13-28-20(26)12-11-18-22-17-6-4-3-5-16(17)21(27)23-18/h3-6,14-15H,7-13H2,1-2H3,(H,22,23,27)