4-(phenylmethyl)-1,4-diazepane-1-carboxylic acid

Systemtic Name: 4-(phenylmethyl)-1,4-diazepane-1-carboxylic acid Openeye Name: 4-benzyl-1,4-diazepane-1-carboxylic acid CAS Name: 4-(phenylmethyl)-1,4-diazepane-1-carboxylic acid IUPAC Name: 4-benzyl-1,4-diazepane-1-carboxylic acid Traditional Name: 4-benzyl-1,4-diazepane-1-carboxylic acid Formula: C13H18N2O2 MolecularWeight: 234.29422

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)O)CC2=CC=CC=C2

Isomeric SMILES

C1CN(CCN(C1)C(=O)O)CC2=CC=CC=C2

InChI

InChI=1S/C13H18N2O2/c16-13(17)15-8-4-7-14(9-10-15)11-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2,(H,16,17)