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

Systemtic Name: [1-[(4-tert-butylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)propanoate Openeye Name: [2-(4-tert-butylanilino)-1-methyl-2-oxo-ethyl] 3-(3-cyclopropyl-4-oxo-quinazolin-2-yl)propanoate CAS Name: 3-(3-cyclopropyl-4-oxo-2-quinazolinyl)propanoic acid [1-(4-tert-butylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-tert-butylanilino)-1-oxopropan-2-yl] 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoate Traditional Name: 3-(3-cyclopropyl-4-keto-quinazolin-2-yl)propionic acid [2-(4-tert-butylanilino)-2-keto-1-methyl-ethyl] ester Formula: C27H31N3O4 MolecularWeight: 461.55274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(C)(C)C)OC(=O)CCC2=NC3=CC=CC=C3C(=O)N2C4CC4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(C)(C)C)OC(=O)CCC2=NC3=CC=CC=C3C(=O)N2C4CC4

InChI

InChI=1S/C27H31N3O4/c1-17(25(32)28-19-11-9-18(10-12-19)27(2,3)4)34-24(31)16-15-23-29-22-8-6-5-7-21(22)26(33)30(23)20-13-14-20/h5-12,17,20H,13-16H2,1-4H3,(H,28,32)