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

Systemtic Name: methyl (2R,3S)-3-(4-hydroxyphenyl)-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)aziridine-2-carboxylate CAS Name: (2R,3S)-3-(4-hydroxyphenyl)-1-[2-(2-methylpropyl)-4-oxo-3-quinazolinyl]-2-aziridinecarboxylic acid methyl ester IUPAC Name: methyl (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 methyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC2=CC=CC=C2C(=O)N1N3C(C3C(=O)OC)C4=CC=C(C=C4)O

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4/c1-13(2)12-18-23-17-7-5-4-6-16(17)21(27)24(18)25-19(20(25)22(28)29-3)14-8-10-15(26)11-9-14/h4-11,13,19-20,26H,12H2,1-3H3/t19-,20+,25?/m0/s1