5-(hydroxymethyl)-2-[2-(methoxymethoxycarbonyl)-4-(phenylmethoxycarbonylamino)phenyl]benzoic acid

Systemtic Name: 5-(hydroxymethyl)-2-[2-(methoxymethoxycarbonyl)-4-(phenylmethoxycarbonylamino)phenyl]benzoic acid Openeye Name: 2-[4-(benzyloxycarbonylamino)-2-(methoxymethoxycarbonyl)phenyl]-5-(hydroxymethyl)benzoic acid CAS Name: 5-(hydroxymethyl)-2-[2-[methoxymethoxy(oxo)methyl]-4-(phenylmethoxycarbonylamino)phenyl]benzoic acid IUPAC Name: 5-(hydroxymethyl)-2-[2-(methoxymethoxycarbonyl)-4-(phenylmethoxycarbonylamino)phenyl]benzoic acid Traditional Name: 2-[4-(benzyloxycarbonylamino)-2-(methoxymethoxycarbonyl)phenyl]-5-methylol-benzoic acid Formula: C25H23NO8 MolecularWeight: 465.45202

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Descriptors Computed from Structure

Canonical SMILES:

COCOC(=O)C1=C(C=CC(=C1)NC(=O)OCC2=CC=CC=C2)C3=C(C=C(C=C3)CO)C(=O)O

Isomeric SMILES

COCOC(=O)C1=C(C=CC(=C1)NC(=O)OCC2=CC=CC=C2)C3=C(C=C(C=C3)CO)C(=O)O

InChI

InChI=1S/C25H23NO8/c1-32-15-34-24(30)22-12-18(26-25(31)33-14-16-5-3-2-4-6-16)8-10-20(22)19-9-7-17(13-27)11-21(19)23(28)29/h2-12,27H,13-15H2,1H3,(H,26,31)(H,28,29)