4-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-3-(phenylmethoxycarbonylamino)butanoic acid

Systemtic Name: 4-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-3-(phenylmethoxycarbonylamino)butanoic acid Openeye Name: 3-(benzyloxycarbonylamino)-4-(3,4-dihydroxyphenyl)-2-hydroxy-butanoic acid CAS Name: 4-(3,4-dihydroxyphenyl)-2-hydroxy-3-(phenylmethoxycarbonylamino)butanoic acid IUPAC Name: 4-(3,4-dihydroxyphenyl)-2-hydroxy-3-(phenylmethoxycarbonylamino)butanoic acid Traditional Name: 3-(benzyloxycarbonylamino)-4-(3,4-dihydroxyphenyl)-2-hydroxy-butyric acid Formula: C18H19NO7 MolecularWeight: 361.34596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC2=CC(=C(C=C2)O)O)C(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CC2=CC(=C(C=C2)O)O)C(C(=O)O)O

InChI

InChI=1S/C18H19NO7/c20-14-7-6-12(9-15(14)21)8-13(16(22)17(23)24)19-18(25)26-10-11-4-2-1-3-5-11/h1-7,9,13,16,20-22H,8,10H2,(H,19,25)(H,23,24)