5-(3,5-dimethylphenyl)-2-ethoxy-3-(ethylamino)-6-(4-hydroxyphenyl)-4-methoxy-5-methyl-6-oxidanyl-cyclohexa-1,3-diene-1-carboxylic acid

Systemtic Name: 5-(3,5-dimethylphenyl)-2-ethoxy-3-(ethylamino)-6-(4-hydroxyphenyl)-4-methoxy-5-methyl-6-oxidanyl-cyclohexa-1,3-diene-1-carboxylic acid Openeye Name: 5-(3,5-dimethylphenyl)-2-ethoxy-3-(ethylamino)-6-hydroxy-6-(4-hydroxyphenyl)-4-methoxy-5-methyl-cyclohexa-1,3-diene-1-carboxylic acid CAS Name: 5-(3,5-dimethylphenyl)-2-ethoxy-3-(ethylamino)-6-hydroxy-6-(4-hydroxyphenyl)-4-methoxy-5-methyl-1-cyclohexa-1,3-dienecarboxylic acid IUPAC Name: 5-(3,5-dimethylphenyl)-2-ethoxy-3-(ethylamino)-6-hydroxy-6-(4-hydroxyphenyl)-4-methoxy-5-methylcyclohexa-1,3-diene-1-carboxylic acid Traditional Name: 5-(3,5-dimethylphenyl)-2-ethoxy-3-(ethylamino)-6-hydroxy-6-(4-hydroxyphenyl)-4-methoxy-5-methyl-cyclohexa-1,3-diene-1-carboxylic acid Formula: C27H33NO6 MolecularWeight: 467.55402

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C(C(C(=C1OCC)C(=O)O)(C2=CC=C(C=C2)O)O)(C)C3=CC(=CC(=C3)C)C)OC

Isomeric SMILES

CCNC1=C(C(C(C(=C1OCC)C(=O)O)(C2=CC=C(C=C2)O)O)(C)C3=CC(=CC(=C3)C)C)OC

InChI

InChI=1S/C27H33NO6/c1-7-28-22-23(34-8-2)21(25(30)31)27(32,18-9-11-20(29)12-10-18)26(5,24(22)33-6)19-14-16(3)13-17(4)15-19/h9-15,28-29,32H,7-8H2,1-6H3,(H,30,31)