(2-oxidanylideneazepan-3-yl) (E)-3-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]prop-2-enoate

Systemtic Name: (2-oxidanylideneazepan-3-yl) (E)-3-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]prop-2-enoate Openeye Name: (2-oxoazepan-3-yl) (E)-3-[4-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-2-propenoic acid (2-oxo-3-azepanyl) ester IUPAC Name: (2-oxoazepan-3-yl) (E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[4-(2-amino-2-keto-ethoxy)-3-methoxy-phenyl]acrylic acid (2-ketoazepan-3-yl) ester Formula: C18H22N2O6 MolecularWeight: 362.37708

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OC2CCCCNC2=O)OCC(=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OC2CCCCNC2=O)OCC(=O)N

InChI

InChI=1S/C18H22N2O6/c1-24-15-10-12(5-7-13(15)25-11-16(19)21)6-8-17(22)26-14-4-2-3-9-20-18(14)23/h5-8,10,14H,2-4,9,11H2,1H3,(H2,19,21)(H,20,23)/b8-6+