2-(azepan-1-ylcarbonylamino)-3-phenyl-propanoic acid

Systemtic Name: 2-(azepan-1-ylcarbonylamino)-3-phenyl-propanoic acid Openeye Name: 2-(azepane-1-carbonylamino)-3-phenyl-propanoic acid CAS Name: 2-[[1-azepanyl(oxo)methyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-(azepane-1-carbonylamino)-3-phenylpropanoic acid Traditional Name: 2-(azepane-1-carbonylamino)-3-phenyl-propionic acid Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CCCN(CC1)C(=O)NC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C16H22N2O3/c19-15(20)14(12-13-8-4-3-5-9-13)17-16(21)18-10-6-1-2-7-11-18/h3-5,8-9,14H,1-2,6-7,10-12H2,(H,17,21)(H,19,20)