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

Systemtic Name: [(E)-2-(7-azanyl-3,4,5,6-tetrahydro-2H-azepin-6-yl)ethenyl] benzoate Openeye Name: [(E)-2-(7-amino-3,4,5,6-tetrahydro-2H-azepin-6-yl)vinyl] benzoate CAS Name: benzoic acid [(E)-2-(7-amino-3,4,5,6-tetrahydro-2H-azepin-6-yl)ethenyl] ester IUPAC Name: [(E)-2-(7-amino-3,4,5,6-tetrahydro-2H-azepin-6-yl)ethenyl] benzoate Traditional Name: benzoic acid [(E)-2-(7-amino-3,4,5,6-tetrahydro-2H-azepin-6-yl)vinyl] ester Formula: C15H18N2O2 MolecularWeight: 258.31562

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C(C(C1)C=COC(=O)C2=CC=CC=C2)N

Isomeric SMILES

C1CCN=C(C(C1)/C=C/OC(=O)C2=CC=CC=C2)N

InChI

InChI=1S/C15H18N2O2/c16-14-12(6-4-5-10-17-14)9-11-19-15(18)13-7-2-1-3-8-13/h1-3,7-9,11-12H,4-6,10H2,(H2,16,17)/b11-9+