3-(2-oxidanylidenecyclohexyl)-2-[(phenylmethyl)amino]propanoic acid

Systemtic Name: 3-(2-oxidanylidenecyclohexyl)-2-[(phenylmethyl)amino]propanoic acid Openeye Name: 2-(benzylamino)-3-(2-oxocyclohexyl)propanoic acid CAS Name: 3-(2-oxocyclohexyl)-2-[(phenylmethyl)amino]propanoic acid IUPAC Name: 2-(benzylamino)-3-(2-oxocyclohexyl)propanoic acid Traditional Name: 2-(benzylamino)-3-(2-ketocyclohexyl)propionic acid Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)CC(C(=O)O)NCC2=CC=CC=C2

Isomeric SMILES

C1CCC(=O)C(C1)CC(C(=O)O)NCC2=CC=CC=C2

InChI

InChI=1S/C16H21NO3/c18-15-9-5-4-8-13(15)10-14(16(19)20)17-11-12-6-2-1-3-7-12/h1-3,6-7,13-14,17H,4-5,8-11H2,(H,19,20)