methyl (2S)-2-[2-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[2-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[2-(6-chloro-4-oxo-quinazolin-3-yl)acetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-(6-chloro-4-oxo-3-quinazolinyl)-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(6-chloro-4-oxoquinazolin-3-yl)acetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-(6-chloro-4-keto-quinazolin-3-yl)acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C20H18ClN3O4 MolecularWeight: 399.82762

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CN2C=NC3=C(C2=O)C=C(C=C3)Cl

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CN2C=NC3=C(C2=O)C=C(C=C3)Cl

InChI

InChI=1S/C20H18ClN3O4/c1-28-20(27)17(9-13-5-3-2-4-6-13)23-18(25)11-24-12-22-16-8-7-14(21)10-15(16)19(24)26/h2-8,10,12,17H,9,11H2,1H3,(H,23,25)/t17-/m0/s1