methyl 2-(5-oxidanylidene-3,4-dihydro-2H-1-benzoxepin-8-yl)propanoate

Systemtic Name: methyl 2-(5-oxidanylidene-3,4-dihydro-2H-1-benzoxepin-8-yl)propanoate Openeye Name: methyl 2-(5-oxo-3,4-dihydro-2H-1-benzoxepin-8-yl)propanoate CAS Name: 2-(5-oxo-3,4-dihydro-2H-1-benzoxepin-8-yl)propanoic acid methyl ester IUPAC Name: methyl 2-(5-oxo-3,4-dihydro-2H-1-benzoxepin-8-yl)propanoate Traditional Name: 2-(5-keto-3,4-dihydro-2H-1-benzoxepin-8-yl)propionic acid methyl ester Formula: C14H16O4 MolecularWeight: 248.27444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)C(=O)CCCO2)C(=O)OC

Isomeric SMILES

CC(C1=CC2=C(C=C1)C(=O)CCCO2)C(=O)OC

InChI

InChI=1S/C14H16O4/c1-9(14(16)17-2)10-5-6-11-12(15)4-3-7-18-13(11)8-10/h5-6,8-9H,3-4,7H2,1-2H3