methyl (2R,3S)-3-(4-hydroxyphenyl)-2-methyl-1-[2-(2-methylpropyl)-4-oxidanylidene-quinazolin-3-yl]aziridine-2-carboxylate

Systemtic Name: methyl (2R,3S)-3-(4-hydroxyphenyl)-2-methyl-1-[2-(2-methylpropyl)-4-oxidanylidene-quinazolin-3-yl]aziridine-2-carboxylate Openeye Name: methyl (2R,3S)-3-(4-hydroxyphenyl)-1-(2-isobutyl-4-oxo-quinazolin-3-yl)-2-methyl-aziridine-2-carboxylate CAS Name: (2R,3S)-3-(4-hydroxyphenyl)-2-methyl-1-[2-(2-methylpropyl)-4-oxo-3-quinazolinyl]-2-aziridinecarboxylic acid methyl ester IUPAC Name: methyl (2R,3S)-3-(4-hydroxyphenyl)-2-methyl-1-[2-(2-methylpropyl)-4-oxoquinazolin-3-yl]aziridine-2-carboxylate Traditional Name: (2R,3S)-3-(4-hydroxyphenyl)-1-(2-isobutyl-4-keto-quinazolin-3-yl)-2-methyl-ethylenimine-2-carboxylic acid methyl ester Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC2=CC=CC=C2C(=O)N1N3C(C3(C)C(=O)OC)C4=CC=C(C=C4)O

Isomeric SMILES

CC(C)CC1=NC2=CC=CC=C2C(=O)N1N3[C@H]([C@]3(C)C(=O)OC)C4=CC=C(C=C4)O

InChI

InChI=1S/C23H25N3O4/c1-14(2)13-19-24-18-8-6-5-7-17(18)21(28)25(19)26-20(23(26,3)22(29)30-4)15-9-11-16(27)12-10-15/h5-12,14,20,27H,13H2,1-4H3/t20-,23+,26?/m0/s1