[2-(dicyclohexylamino)-2-oxidanylidene-ethyl] 3-(4-oxidanylidenequinazolin-3-yl)propanoate

Systemtic Name: [2-(dicyclohexylamino)-2-oxidanylidene-ethyl] 3-(4-oxidanylidenequinazolin-3-yl)propanoate Openeye Name: [2-(dicyclohexylamino)-2-oxo-ethyl] 3-(4-oxoquinazolin-3-yl)propanoate CAS Name: 3-(4-oxo-3-quinazolinyl)propanoic acid [2-(dicyclohexylamino)-2-oxoethyl] ester IUPAC Name: [2-(dicyclohexylamino)-2-oxoethyl] 3-(4-oxoquinazolin-3-yl)propanoate Traditional Name: 3-(4-ketoquinazolin-3-yl)propionic acid [2-(dicyclohexylamino)-2-keto-ethyl] ester Formula: C25H33N3O4 MolecularWeight: 439.54722

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2CCCCC2)C(=O)COC(=O)CCN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

C1CCC(CC1)N(C2CCCCC2)C(=O)COC(=O)CCN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C25H33N3O4/c29-23(28(19-9-3-1-4-10-19)20-11-5-2-6-12-20)17-32-24(30)15-16-27-18-26-22-14-8-7-13-21(22)25(27)31/h7-8,13-14,18-20H,1-6,9-12,15-17H2