methyl (3S)-3-[(3-oxidanylidene-4H-1,4-benzoxazin-7-yl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (3S)-3-[(3-oxidanylidene-4H-1,4-benzoxazin-7-yl)carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (3S)-3-[(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]-3-phenyl-propanoate CAS Name: (3S)-3-[[oxo-(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (3S)-3-[(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]-3-phenylpropanoate Traditional Name: (3S)-3-[(3-keto-4H-1,4-benzoxazine-7-carbonyl)amino]-3-phenyl-propionic acid methyl ester Formula: C19H18N2O5 MolecularWeight: 354.35662

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)NC(=O)CO3

Isomeric SMILES

COC(=O)C[C@@H](C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)NC(=O)CO3

InChI

InChI=1S/C19H18N2O5/c1-25-18(23)10-15(12-5-3-2-4-6-12)21-19(24)13-7-8-14-16(9-13)26-11-17(22)20-14/h2-9,15H,10-11H2,1H3,(H,20,22)(H,21,24)/t15-/m0/s1