3-(3-cyanophenyl)-3-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-(3-cyanophenyl)-3-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 3-(benzyloxycarbonylamino)-3-(3-cyanophenyl)propanoic acid CAS Name: 3-(3-cyanophenyl)-3-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-(3-cyanophenyl)-3-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 3-(benzyloxycarbonylamino)-3-(3-cyanophenyl)propionic acid Formula: C18H16N2O4 MolecularWeight: 324.33064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC(=O)O)C2=CC=CC(=C2)C#N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CC(=O)O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C18H16N2O4/c19-11-14-7-4-8-15(9-14)16(10-17(21)22)20-18(23)24-12-13-5-2-1-3-6-13/h1-9,16H,10,12H2,(H,20,23)(H,21,22)