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

Systemtic Name: ethyl (2R,3S)-3-(3-hydroxyphenyl)-3-methyl-1-[2-(2-methylpropyl)-4-oxidanylidene-quinazolin-3-yl]aziridine-2-carboxylate Openeye Name: ethyl (2R,3S)-3-(3-hydroxyphenyl)-1-(2-isobutyl-4-oxo-quinazolin-3-yl)-3-methyl-aziridine-2-carboxylate CAS Name: (2R,3S)-3-(3-hydroxyphenyl)-3-methyl-1-[2-(2-methylpropyl)-4-oxo-3-quinazolinyl]-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl (2R,3S)-3-(3-hydroxyphenyl)-3-methyl-1-[2-(2-methylpropyl)-4-oxoquinazolin-3-yl]aziridine-2-carboxylate Traditional Name: (2R,3S)-3-(3-hydroxyphenyl)-1-(2-isobutyl-4-keto-quinazolin-3-yl)-3-methyl-ethylenimine-2-carboxylic acid ethyl ester Formula: C24H27N3O4 MolecularWeight: 421.48888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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