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

Systemtic Name: ethyl (2R,3S)-3-(4-hydroxyphenyl)-2-methyl-1-[2-(2-methylpropyl)-4-oxidanylidene-quinazolin-3-yl]aziridine-2-carboxylate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(N1N2C(=NC3=CC=CC=C3C2=O)CC(C)C)C4=CC=C(C=C4)O)C

Isomeric SMILES

CCOC(=O)[C@]1([C@@H](N1N2C(=NC3=CC=CC=C3C2=O)CC(C)C)C4=CC=C(C=C4)O)C

InChI

InChI=1S/C24H27N3O4/c1-5-31-23(30)24(4)21(16-10-12-17(28)13-11-16)27(24)26-20(14-15(2)3)25-19-9-7-6-8-18(19)22(26)29/h6-13,15,21,28H,5,14H2,1-4H3/t21-,24+,27?/m0/s1