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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C=CC2CCCCN=C2N

Isomeric SMILES

COC(=O)C1=CC=CC=C1/C=C/C2CCCCN=C2N

InChI

InChI=1S/C16H20N2O2/c1-20-16(19)14-8-3-2-6-12(14)9-10-13-7-4-5-11-18-15(13)17/h2-3,6,8-10,13H,4-5,7,11H2,1H3,(H2,17,18)/b10-9+