2-[bis[2-(3-methoxy-4-oxidanyl-phenyl)carbonyloxyethyl]amino]-5-ethyl-3-methoxy-4-oxidanyl-benzoic acid

Systemtic Name: 2-[bis[2-(3-methoxy-4-oxidanyl-phenyl)carbonyloxyethyl]amino]-5-ethyl-3-methoxy-4-oxidanyl-benzoic acid Openeye Name: 2-[bis[2-(4-hydroxy-3-methoxy-benzoyl)oxyethyl]amino]-5-ethyl-4-hydroxy-3-methoxy-benzoic acid CAS Name: 2-[bis[2-[(4-hydroxy-3-methoxyphenyl)-oxomethoxy]ethyl]amino]-5-ethyl-4-hydroxy-3-methoxybenzoic acid IUPAC Name: 2-[bis[2-(4-hydroxy-3-methoxybenzoyl)oxyethyl]amino]-5-ethyl-4-hydroxy-3-methoxybenzoic acid Traditional Name: 2-[bis(2-vanilloyloxyethyl)amino]-5-ethyl-4-hydroxy-3-methoxy-benzoic acid Formula: C30H33NO12 MolecularWeight: 599.58252

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C(=C1)C(=O)O)N(CCOC(=O)C2=CC(=C(C=C2)O)OC)CCOC(=O)C3=CC(=C(C=C3)O)OC)OC)O

Isomeric SMILES

CCC1=C(C(=C(C(=C1)C(=O)O)N(CCOC(=O)C2=CC(=C(C=C2)O)OC)CCOC(=O)C3=CC(=C(C=C3)O)OC)OC)O

InChI

InChI=1S/C30H33NO12/c1-5-17-14-20(28(35)36)25(27(41-4)26(17)34)31(10-12-42-29(37)18-6-8-21(32)23(15-18)39-2)11-13-43-30(38)19-7-9-22(33)24(16-19)40-3/h6-9,14-16,32-34H,5,10-13H2,1-4H3,(H,35,36)