[1-[(2,3-dimethylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-oxidanylidenequinazolin-3-yl)propanoate

Systemtic Name: [1-[(2,3-dimethylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-oxidanylidenequinazolin-3-yl)propanoate Openeye Name: [2-[(2,3-dimethylcyclohexyl)amino]-1-methyl-2-oxo-ethyl] 3-(4-oxoquinazolin-3-yl)propanoate CAS Name: 3-(4-oxo-3-quinazolinyl)propanoic acid [1-[(2,3-dimethylcyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2,3-dimethylcyclohexyl)amino]-1-oxopropan-2-yl] 3-(4-oxoquinazolin-3-yl)propanoate Traditional Name: 3-(4-ketoquinazolin-3-yl)propionic acid [2-[(2,3-dimethylcyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)C(C)OC(=O)CCN2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

CC1CCCC(C1C)NC(=O)C(C)OC(=O)CCN2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C22H29N3O4/c1-14-7-6-10-18(15(14)2)24-21(27)16(3)29-20(26)11-12-25-13-23-19-9-5-4-8-17(19)22(25)28/h4-5,8-9,13-16,18H,6-7,10-12H2,1-3H3,(H,24,27)