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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C=CC2CCCCC(=N2)N

Isomeric SMILES

COC(=O)C1=CC=CC=C1/C=C/C2CCCCC(=N2)N

InChI

InChI=1S/C16H20N2O2/c1-20-16(19)14-8-4-2-6-12(14)10-11-13-7-3-5-9-15(17)18-13/h2,4,6,8,10-11,13H,3,5,7,9H2,1H3,(H2,17,18)/b11-10+