3-(1-azanyl-2-oxidanylidene-1-phenyl-butyl)azepane-1-carboxylic acid

Systemtic Name: 3-(1-azanyl-2-oxidanylidene-1-phenyl-butyl)azepane-1-carboxylic acid Openeye Name: 3-(1-amino-2-oxo-1-phenyl-butyl)azepane-1-carboxylic acid CAS Name: 3-(1-amino-2-oxo-1-phenylbutyl)-1-azepanecarboxylic acid IUPAC Name: 3-(1-amino-2-oxo-1-phenylbutyl)azepane-1-carboxylic acid Traditional Name: 3-(1-amino-2-keto-1-phenyl-butyl)azepane-1-carboxylic acid Formula: C17H24N2O3 MolecularWeight: 304.38406

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C1CCCCN(C1)C(=O)O)(C2=CC=CC=C2)N

Isomeric SMILES

CCC(=O)C(C1CCCCN(C1)C(=O)O)(C2=CC=CC=C2)N

InChI

InChI=1S/C17H24N2O3/c1-2-15(20)17(18,13-8-4-3-5-9-13)14-10-6-7-11-19(12-14)16(21)22/h3-5,8-9,14H,2,6-7,10-12,18H2,1H3,(H,21,22)