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

Systemtic Name: ethyl (2R,3S)-3-(4-hydroxyphenyl)-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)aziridine-2-carboxylate CAS Name: (2R,3S)-3-(4-hydroxyphenyl)-1-[2-(2-methylpropyl)-4-oxo-3-quinazolinyl]-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl (2R,3S)-3-(4-hydroxyphenyl)-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)ethylenimine-2-carboxylic acid ethyl ester Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N1N2C(=NC3=CC=CC=C3C2=O)CC(C)C)C4=CC=C(C=C4)O

Isomeric SMILES

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

InChI

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