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

Systemtic Name: methyl 2-[2-(7-azanyl-3,4,5,6-tetrahydro-2H-azepin-2-yl)ethyl]benzoate Openeye Name: methyl 2-[2-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)ethyl]benzoate CAS Name: 2-[2-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)ethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[2-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)ethyl]benzoate Traditional Name: 2-[2-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)ethyl]benzoic acid methyl ester Formula: C16H22N2O2 MolecularWeight: 274.35808

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1CCC2CCCCC(=N2)N

Isomeric SMILES

COC(=O)C1=CC=CC=C1CCC2CCCCC(=N2)N

InChI

InChI=1S/C16H22N2O2/c1-20-16(19)14-8-4-2-6-12(14)10-11-13-7-3-5-9-15(17)18-13/h2,4,6,8,13H,3,5,7,9-11H2,1H3,(H2,17,18)