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

Systemtic Name: [(E)-2-(7-methoxy-3,4,5,6-tetrahydro-2H-azepin-6-yl)ethenyl] 2-phenylethanoate Openeye Name: [(E)-2-(7-methoxy-3,4,5,6-tetrahydro-2H-azepin-6-yl)vinyl] 2-phenylacetate CAS Name: 2-phenylacetic 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] 2-phenylacetate Traditional Name: 2-phenylacetic acid [(E)-2-(7-methoxy-3,4,5,6-tetrahydro-2H-azepin-6-yl)vinyl] ester Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NCCCCC1C=COC(=O)CC2=CC=CC=C2

Isomeric SMILES

COC1=NCCCCC1/C=C/OC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C17H21NO3/c1-20-17-15(9-5-6-11-18-17)10-12-21-16(19)13-14-7-3-2-4-8-14/h2-4,7-8,10,12,15H,5-6,9,11,13H2,1H3/b12-10+