[(E)-2-(7-methoxy-3,4,5,6-tetrahydro-2H-azepin-6-yl)ethenyl] benzoate

Systemtic Name: [(E)-2-(7-methoxy-3,4,5,6-tetrahydro-2H-azepin-6-yl)ethenyl] benzoate Openeye Name: [(E)-2-(7-methoxy-3,4,5,6-tetrahydro-2H-azepin-6-yl)vinyl] benzoate CAS Name: benzoic acid [(E)-2-(7-methoxy-3,4,5,6-tetrahydro-2H-azepin-6-yl)ethenyl] ester IUPAC Name: [(E)-2-(7-methoxy-3,4,5,6-tetrahydro-2H-azepin-6-yl)ethenyl] benzoate Traditional Name: benzoic acid [(E)-2-(7-methoxy-3,4,5,6-tetrahydro-2H-azepin-6-yl)vinyl] ester Formula: C16H19NO3 MolecularWeight: 273.32696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NCCCCC1C=COC(=O)C2=CC=CC=C2

Isomeric SMILES

COC1=NCCCCC1/C=C/OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H19NO3/c1-19-15-13(7-5-6-11-17-15)10-12-20-16(18)14-8-3-2-4-9-14/h2-4,8-10,12-13H,5-7,11H2,1H3/b12-10+