[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoate

Systemtic Name: [2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoate Openeye Name: [2-(4-cyclohexylphenyl)-2-oxo-ethyl] 3-(4-oxo-1H-quinazolin-2-yl)propanoate CAS Name: 3-(4-oxo-1H-quinazolin-2-yl)propanoic acid [2-(4-cyclohexylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-cyclohexylphenyl)-2-oxoethyl] 3-(4-oxo-1H-quinazolin-2-yl)propanoate Traditional Name: 3-(4-keto-1H-quinazolin-2-yl)propionic acid [2-(4-cyclohexylphenyl)-2-keto-ethyl] ester Formula: C25H26N2O4 MolecularWeight: 418.48494

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(=O)COC(=O)CCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(=O)COC(=O)CCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C25H26N2O4/c28-22(19-12-10-18(11-13-19)17-6-2-1-3-7-17)16-31-24(29)15-14-23-26-21-9-5-4-8-20(21)25(30)27-23/h4-5,8-13,17H,1-3,6-7,14-16H2,(H,26,27,30)