3-methoxy-4-phenylmethoxy-2-[[3,4,5-trimethoxy-2-(methoxymethoxymethyl)phenyl]amino]benzoic acid

Systemtic Name: 3-methoxy-4-phenylmethoxy-2-[[3,4,5-trimethoxy-2-(methoxymethoxymethyl)phenyl]amino]benzoic acid Openeye Name: 4-benzyloxy-3-methoxy-2-[3,4,5-trimethoxy-2-(methoxymethoxymethyl)anilino]benzoic acid CAS Name: 3-methoxy-4-phenylmethoxy-2-[3,4,5-trimethoxy-2-(methoxymethoxymethyl)anilino]benzoic acid IUPAC Name: 3-methoxy-4-phenylmethoxy-2-[3,4,5-trimethoxy-2-(methoxymethoxymethyl)anilino]benzoic acid Traditional Name: 4-benzoxy-3-methoxy-2-[3,4,5-trimethoxy-2-(methoxymethoxymethyl)anilino]benzoic acid Formula: C27H31NO9 MolecularWeight: 513.53634

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Descriptors Computed from Structure

Canonical SMILES:

COCOCC1=C(C(=C(C=C1NC2=C(C=CC(=C2OC)OCC3=CC=CC=C3)C(=O)O)OC)OC)OC

Isomeric SMILES

COCOCC1=C(C(=C(C=C1NC2=C(C=CC(=C2OC)OCC3=CC=CC=C3)C(=O)O)OC)OC)OC

InChI

InChI=1S/C27H31NO9/c1-31-16-36-15-19-20(13-22(32-2)26(35-5)24(19)33-3)28-23-18(27(29)30)11-12-21(25(23)34-4)37-14-17-9-7-6-8-10-17/h6-13,28H,14-16H2,1-5H3,(H,29,30)