ethyl 2-[(5,8-dimethyl-4-oxidanylidene-3,1-benzoxazin-2-yl)amino]-3-phenyl-propanoate

Systemtic Name: ethyl 2-[(5,8-dimethyl-4-oxidanylidene-3,1-benzoxazin-2-yl)amino]-3-phenyl-propanoate Openeye Name: ethyl 2-[(5,8-dimethyl-4-oxo-3,1-benzoxazin-2-yl)amino]-3-phenyl-propanoate CAS Name: 2-[(5,8-dimethyl-4-oxo-3,1-benzoxazin-2-yl)amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[(5,8-dimethyl-4-oxo-3,1-benzoxazin-2-yl)amino]-3-phenylpropanoate Traditional Name: 2-[(4-keto-5,8-dimethyl-3,1-benzoxazin-2-yl)amino]-3-phenyl-propionic acid ethyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC2=NC3=C(C=CC(=C3C(=O)O2)C)C

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)NC2=NC3=C(C=CC(=C3C(=O)O2)C)C

InChI

InChI=1S/C21H22N2O4/c1-4-26-19(24)16(12-15-8-6-5-7-9-15)22-21-23-18-14(3)11-10-13(2)17(18)20(25)27-21/h5-11,16H,4,12H2,1-3H3,(H,22,23)