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

Systemtic Name: 6-ethoxy-5-(ethylamino)-3-(4-hydroxyphenyl)-4-methyl-4-(2-methylphenyl)-3-oxidanyl-2-phenoxy-cyclohexa-1,5-diene-1-carboxylic acid Openeye Name: 6-ethoxy-5-(ethylamino)-3-hydroxy-3-(4-hydroxyphenyl)-4-methyl-4-(o-tolyl)-2-phenoxy-cyclohexa-1,5-diene-1-carboxylic acid CAS Name: 6-ethoxy-5-(ethylamino)-3-hydroxy-3-(4-hydroxyphenyl)-4-methyl-4-(2-methylphenyl)-2-phenoxy-1-cyclohexa-1,5-dienecarboxylic acid IUPAC Name: 6-ethoxy-5-(ethylamino)-3-hydroxy-3-(4-hydroxyphenyl)-4-methyl-4-(2-methylphenyl)-2-phenoxycyclohexa-1,5-diene-1-carboxylic acid Traditional Name: 6-ethoxy-5-(ethylamino)-3-hydroxy-3-(4-hydroxyphenyl)-4-methyl-4-(o-tolyl)-2-phenoxy-cyclohexa-1,5-diene-1-carboxylic acid Formula: C31H33NO6 MolecularWeight: 515.59682

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C(=C(C(C1(C)C2=CC=CC=C2C)(C3=CC=C(C=C3)O)O)OC4=CC=CC=C4)C(=O)O)OCC

Isomeric SMILES

CCNC1=C(C(=C(C(C1(C)C2=CC=CC=C2C)(C3=CC=C(C=C3)O)O)OC4=CC=CC=C4)C(=O)O)OCC

InChI

InChI=1S/C31H33NO6/c1-5-32-27-26(37-6-2)25(29(34)35)28(38-23-13-8-7-9-14-23)31(36,21-16-18-22(33)19-17-21)30(27,4)24-15-11-10-12-20(24)3/h7-19,32-33,36H,5-6H2,1-4H3,(H,34,35)