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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(CCCC1)C=COC(=O)C2=CC=CC=C2

Isomeric SMILES

COC1=NC(CCCC1)/C=C/OC(=O)C2=CC=CC=C2

InChI

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