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

Systemtic Name: 6-ethoxy-5-(ethylamino)-3-(4-hydroxyphenyl)-2-(4-methoxyphenoxy)-4-methyl-3-oxidanyl-4-phenyl-cyclohexa-1,5-diene-1-carboxylic acid Openeye Name: 6-ethoxy-5-(ethylamino)-3-hydroxy-3-(4-hydroxyphenyl)-2-(4-methoxyphenoxy)-4-methyl-4-phenyl-cyclohexa-1,5-diene-1-carboxylic acid CAS Name: 6-ethoxy-5-(ethylamino)-3-hydroxy-3-(4-hydroxyphenyl)-2-(4-methoxyphenoxy)-4-methyl-4-phenyl-1-cyclohexa-1,5-dienecarboxylic acid IUPAC Name: 6-ethoxy-5-(ethylamino)-3-hydroxy-3-(4-hydroxyphenyl)-2-(4-methoxyphenoxy)-4-methyl-4-phenylcyclohexa-1,5-diene-1-carboxylic acid Traditional Name: 6-ethoxy-5-(ethylamino)-3-hydroxy-3-(4-hydroxyphenyl)-2-(4-methoxyphenoxy)-4-methyl-4-phenyl-cyclohexa-1,5-diene-1-carboxylic acid Formula: C31H33NO7 MolecularWeight: 531.59622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C(=C(C(C1(C)C2=CC=CC=C2)(C3=CC=C(C=C3)O)O)OC4=CC=C(C=C4)OC)C(=O)O)OCC

Isomeric SMILES

CCNC1=C(C(=C(C(C1(C)C2=CC=CC=C2)(C3=CC=C(C=C3)O)O)OC4=CC=C(C=C4)OC)C(=O)O)OCC

InChI

InChI=1S/C31H33NO7/c1-5-32-27-26(38-6-2)25(29(34)35)28(39-24-18-16-23(37-4)17-19-24)31(36,21-12-14-22(33)15-13-21)30(27,3)20-10-8-7-9-11-20/h7-19,32-33,36H,5-6H2,1-4H3,(H,34,35)