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7-oxidanylidene-3-(phenylmethyl)azepane-2-carboxylic acid

7-oxidanylidene-3-(phenylmethyl)azepane-2-carboxylic acid

Systemtic Name:7-oxidanylidene-3-(phenylmethyl)azepane-2-carboxylic acid
Openeye Name:3-benzyl-7-oxo-azepane-2-carboxylic acid
CAS Name:7-oxo-3-(phenylmethyl)-2-azepanecarboxylic acid
IUPAC Name:3-benzyl-7-oxoazepane-2-carboxylic acid
Traditional Name:3-benzyl-7-keto-azepane-2-carboxylic acid
Formula: C14H17NO3
MolecularWeight: 247.28968
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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(NC(=O)C1)C(=O)O)CC2=CC=CC=C2


Isomeric SMILES

C1CC(C(NC(=O)C1)C(=O)O)CC2=CC=CC=C2


InChI

InChI=1S/C14H17NO3/c16-12-8-4-7-11(13(15-12)14(17)18)9-10-5-2-1-3-6-10/h1-3,5-6,11,13H,4,7-9H2,(H,15,16)(H,17,18)


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