methyl (E)-3-[3-oxidanylidene-4-(2-phenylmethoxyethyl)-1,4-benzoxazin-8-yl]prop-2-enoate

Systemtic Name: methyl (E)-3-[3-oxidanylidene-4-(2-phenylmethoxyethyl)-1,4-benzoxazin-8-yl]prop-2-enoate Openeye Name: methyl (E)-3-[4-(2-benzyloxyethyl)-3-oxo-1,4-benzoxazin-8-yl]prop-2-enoate CAS Name: (E)-3-[3-oxo-4-(2-phenylmethoxyethyl)-1,4-benzoxazin-8-yl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[3-oxo-4-(2-phenylmethoxyethyl)-1,4-benzoxazin-8-yl]prop-2-enoate Traditional Name: (E)-3-[4-(2-benzoxyethyl)-3-keto-1,4-benzoxazin-8-yl]acrylic acid methyl ester Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=C2C(=CC=C1)N(C(=O)CO2)CCOCC3=CC=CC=C3

Isomeric SMILES

COC(=O)/C=C/C1=C2C(=CC=C1)N(C(=O)CO2)CCOCC3=CC=CC=C3

InChI

InChI=1S/C21H21NO5/c1-25-20(24)11-10-17-8-5-9-18-21(17)27-15-19(23)22(18)12-13-26-14-16-6-3-2-4-7-16/h2-11H,12-15H2,1H3/b11-10+