2-azanyl-3-oxidanylidene-3-phenylmethoxy-propanoic acid; 2-(phenylmethoxycarbonylamino)ethanoic acid

Systemtic Name: 2-azanyl-3-oxidanylidene-3-phenylmethoxy-propanoic acid; 2-(phenylmethoxycarbonylamino)ethanoic acid Openeye Name: 2-amino-3-benzyloxy-3-oxo-propanoic acid; 2-(benzyloxycarbonylamino)acetic acid CAS Name: 2-amino-3-oxo-3-phenylmethoxypropanoic acid; 2-(phenylmethoxycarbonylamino)acetic acid IUPAC Name: 2-amino-3-oxo-3-phenylmethoxypropanoic acid; 2-(phenylmethoxycarbonylamino)acetic acid Traditional Name: 2-amino-3-benzoxy-3-keto-propionic acid; 2-(benzyloxycarbonylamino)acetic acid Formula: C20H22N2O8 MolecularWeight: 418.39728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(C(=O)O)N.C1=CC=C(C=C1)COC(=O)NCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(C(=O)O)N.C1=CC=C(C=C1)COC(=O)NCC(=O)O

InChI

InChI=1S/2C10H11NO4/c12-9(13)6-11-10(14)15-7-8-4-2-1-3-5-8;11-8(9(12)13)10(14)15-6-7-4-2-1-3-5-7/h1-5H,6-7H2,(H,11,14)(H,12,13);1-5,8H,6,11H2,(H,12,13)