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

Systemtic Name: [(E)-2-(7-azanyl-3,4,5,6-tetrahydro-2H-azepin-2-yl)ethenyl] 2-phenylethanoate Openeye Name: [(E)-2-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)vinyl] 2-phenylacetate CAS Name: 2-phenylacetic acid [(E)-2-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)ethenyl] ester IUPAC Name: [(E)-2-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)ethenyl] 2-phenylacetate Traditional Name: 2-phenylacetic acid [(E)-2-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)vinyl] ester Formula: C16H20N2O2 MolecularWeight: 272.3422

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NC(C1)C=COC(=O)CC2=CC=CC=C2)N

Isomeric SMILES

C1CCC(=NC(C1)/C=C/OC(=O)CC2=CC=CC=C2)N

InChI

InChI=1S/C16H20N2O2/c17-15-9-5-4-8-14(18-15)10-11-20-16(19)12-13-6-2-1-3-7-13/h1-3,6-7,10-11,14H,4-5,8-9,12H2,(H2,17,18)/b11-10+