methyl 5-methoxy-2-[(E)-3-(7-oxidanylideneazepan-2-yl)prop-1-enyl]benzoate

Systemtic Name: methyl 5-methoxy-2-[(E)-3-(7-oxidanylideneazepan-2-yl)prop-1-enyl]benzoate Openeye Name: methyl 5-methoxy-2-[(E)-3-(7-oxoazepan-2-yl)prop-1-enyl]benzoate CAS Name: 5-methoxy-2-[(E)-3-(7-oxo-2-azepanyl)prop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 5-methoxy-2-[(E)-3-(7-oxoazepan-2-yl)prop-1-enyl]benzoate Traditional Name: 2-[(E)-3-(7-ketoazepan-2-yl)prop-1-enyl]-5-methoxy-benzoic acid methyl ester Formula: C18H23NO4 MolecularWeight: 317.37952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C=CCC2CCCCC(=O)N2)C(=O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)/C=C/CC2CCCCC(=O)N2)C(=O)OC

InChI

InChI=1S/C18H23NO4/c1-22-15-11-10-13(16(12-15)18(21)23-2)6-5-8-14-7-3-4-9-17(20)19-14/h5-6,10-12,14H,3-4,7-9H2,1-2H3,(H,19,20)/b6-5+