methyl (2R)-2-(azepan-1-ylcarbonylamino)-3-phenyl-propanoate

Systemtic Name: methyl (2R)-2-(azepan-1-ylcarbonylamino)-3-phenyl-propanoate Openeye Name: methyl (2R)-2-(azepane-1-carbonylamino)-3-phenyl-propanoate CAS Name: (2R)-2-[[1-azepanyl(oxo)methyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2R)-2-(azepane-1-carbonylamino)-3-phenylpropanoate Traditional Name: (2R)-2-(azepane-1-carbonylamino)-3-phenyl-propionic acid methyl ester Formula: C17H24N2O3 MolecularWeight: 304.38406

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)N2CCCCCC2

Isomeric SMILES

COC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)N2CCCCCC2

InChI

InChI=1S/C17H24N2O3/c1-22-16(20)15(13-14-9-5-4-6-10-14)18-17(21)19-11-7-2-3-8-12-19/h4-6,9-10,15H,2-3,7-8,11-13H2,1H3,(H,18,21)/t15-/m1/s1