methyl (2S)-3-(4-hydroxyphenyl)-2-[4-(4-oxidanylidene-1H-quinazolin-2-yl)butanoylamino]propanoate

Systemtic Name: methyl (2S)-3-(4-hydroxyphenyl)-2-[4-(4-oxidanylidene-1H-quinazolin-2-yl)butanoylamino]propanoate Openeye Name: methyl (2S)-3-(4-hydroxyphenyl)-2-[4-(4-oxo-1H-quinazolin-2-yl)butanoylamino]propanoate CAS Name: (2S)-3-(4-hydroxyphenyl)-2-[[1-oxo-4-(4-oxo-1H-quinazolin-2-yl)butyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(4-hydroxyphenyl)-2-[4-(4-oxo-1H-quinazolin-2-yl)butanoylamino]propanoate Traditional Name: (2S)-3-(4-hydroxyphenyl)-2-[4-(4-keto-1H-quinazolin-2-yl)butanoylamino]propionic acid methyl ester Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)O)NC(=O)CCCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)CCCC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C22H23N3O5/c1-30-22(29)18(13-14-9-11-15(26)12-10-14)24-20(27)8-4-7-19-23-17-6-3-2-5-16(17)21(28)25-19/h2-3,5-6,9-12,18,26H,4,7-8,13H2,1H3,(H,24,27)(H,23,25,28)/t18-/m0/s1