methyl 4-[(1R)-2-azanyl-1-(azepan-1-yl)ethyl]benzoate

Systemtic Name: methyl 4-[(1R)-2-azanyl-1-(azepan-1-yl)ethyl]benzoate Openeye Name: methyl 4-[(1R)-2-amino-1-(azepan-1-yl)ethyl]benzoate CAS Name: 4-[(1R)-2-amino-1-(1-azepanyl)ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(1R)-2-amino-1-(azepan-1-yl)ethyl]benzoate Traditional Name: 4-[(1R)-2-amino-1-(azepan-1-yl)ethyl]benzoic acid methyl ester Formula: C16H24N2O2 MolecularWeight: 276.37396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(CN)N2CCCCCC2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)[C@H](CN)N2CCCCCC2

InChI

InChI=1S/C16H24N2O2/c1-20-16(19)14-8-6-13(7-9-14)15(12-17)18-10-4-2-3-5-11-18/h6-9,15H,2-5,10-12,17H2,1H3/t15-/m0/s1