ethyl 2-ethoxy-3-[4-[3-(3-oxidanylidene-1,4-benzoxazin-4-yl)prop-1-ynyl]phenyl]propanoate

Systemtic Name: ethyl 2-ethoxy-3-[4-[3-(3-oxidanylidene-1,4-benzoxazin-4-yl)prop-1-ynyl]phenyl]propanoate Openeye Name: ethyl 2-ethoxy-3-[4-[3-(3-oxo-1,4-benzoxazin-4-yl)prop-1-ynyl]phenyl]propanoate CAS Name: 2-ethoxy-3-[4-[3-(3-oxo-1,4-benzoxazin-4-yl)prop-1-ynyl]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-ethoxy-3-[4-[3-(3-oxo-1,4-benzoxazin-4-yl)prop-1-ynyl]phenyl]propanoate Traditional Name: 2-ethoxy-3-[4-[3-(3-keto-1,4-benzoxazin-4-yl)prop-1-ynyl]phenyl]propionic acid ethyl ester Formula: C24H25NO5 MolecularWeight: 407.459

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)C#CCN2C(=O)COC3=CC=CC=C32)C(=O)OCC

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)C#CCN2C(=O)COC3=CC=CC=C32)C(=O)OCC

InChI

InChI=1S/C24H25NO5/c1-3-28-22(24(27)29-4-2)16-19-13-11-18(12-14-19)8-7-15-25-20-9-5-6-10-21(20)30-17-23(25)26/h5-6,9-14,22H,3-4,15-17H2,1-2H3