[1-[(4-tert-butylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-oxidanylidenequinazolin-3-yl)propanoate

Systemtic Name: [1-[(4-tert-butylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-oxidanylidenequinazolin-3-yl)propanoate Openeye Name: [2-(4-tert-butylanilino)-1-methyl-2-oxo-ethyl] 3-(4-oxoquinazolin-3-yl)propanoate CAS Name: 3-(4-oxo-3-quinazolinyl)propanoic acid [1-(4-tert-butylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-tert-butylanilino)-1-oxopropan-2-yl] 3-(4-oxoquinazolin-3-yl)propanoate Traditional Name: 3-(4-ketoquinazolin-3-yl)propionic acid [2-(4-tert-butylanilino)-2-keto-1-methyl-ethyl] ester Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(C)(C)C)OC(=O)CCN2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(C)(C)C)OC(=O)CCN2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C24H27N3O4/c1-16(22(29)26-18-11-9-17(10-12-18)24(2,3)4)31-21(28)13-14-27-15-25-20-8-6-5-7-19(20)23(27)30/h5-12,15-16H,13-14H2,1-4H3,(H,26,29)