4-[3-[4-[[4,5-dimethoxy-2-methyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]methyl]phenyl]propanoylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[3-[4-[[4,5-dimethoxy-2-methyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]methyl]phenyl]propanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 4-[3-[4-[(4,5-dimethoxy-2-methyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)methyl]phenyl]propanoylamino]-2-hydroxy-benzoic acid CAS Name: 4-[[3-[4-[(4,5-dimethoxy-2-methyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)methyl]phenyl]-1-oxopropyl]amino]-2-hydroxybenzoic acid IUPAC Name: 4-[3-[4-[(4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]phenyl]propanoylamino]-2-hydroxybenzoic acid Traditional Name: 4-[3-[4-[(3,6-diketo-4,5-dimethoxy-2-methyl-cyclohexa-1,4-dien-1-yl)methyl]phenyl]propanoylamino]-2-hydroxy-benzoic acid Formula: C26H25NO8 MolecularWeight: 479.4786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C(C1=O)OC)OC)CC2=CC=C(C=C2)CCC(=O)NC3=CC(=C(C=C3)C(=O)O)O

Isomeric SMILES

CC1=C(C(=O)C(=C(C1=O)OC)OC)CC2=CC=C(C=C2)CCC(=O)NC3=CC(=C(C=C3)C(=O)O)O

InChI

InChI=1S/C26H25NO8/c1-14-19(23(31)25(35-3)24(34-2)22(14)30)12-16-6-4-15(5-7-16)8-11-21(29)27-17-9-10-18(26(32)33)20(28)13-17/h4-7,9-10,13,28H,8,11-12H2,1-3H3,(H,27,29)(H,32,33)