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

Systemtic Name: 6-ethoxy-5-(ethylamino)-3-(4-hydroxyphenyl)-4-methyl-3-oxidanyl-4-phenyl-2-propyl-cyclohexa-1,5-diene-1-carboxylic acid Openeye Name: 6-ethoxy-5-(ethylamino)-3-hydroxy-3-(4-hydroxyphenyl)-4-methyl-4-phenyl-2-propyl-cyclohexa-1,5-diene-1-carboxylic acid CAS Name: 6-ethoxy-5-(ethylamino)-3-hydroxy-3-(4-hydroxyphenyl)-4-methyl-4-phenyl-2-propyl-1-cyclohexa-1,5-dienecarboxylic acid IUPAC Name: 6-ethoxy-5-(ethylamino)-3-hydroxy-3-(4-hydroxyphenyl)-4-methyl-4-phenyl-2-propylcyclohexa-1,5-diene-1-carboxylic acid Traditional Name: 6-ethoxy-5-(ethylamino)-3-hydroxy-3-(4-hydroxyphenyl)-4-methyl-4-phenyl-2-propyl-cyclohexa-1,5-diene-1-carboxylic acid Formula: C27H33NO5 MolecularWeight: 451.55462

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(C(C1(C2=CC=C(C=C2)O)O)(C)C3=CC=CC=C3)NCC)OCC)C(=O)O

Isomeric SMILES

CCCC1=C(C(=C(C(C1(C2=CC=C(C=C2)O)O)(C)C3=CC=CC=C3)NCC)OCC)C(=O)O

InChI

InChI=1S/C27H33NO5/c1-5-11-21-22(25(30)31)23(33-7-3)24(28-6-2)26(4,18-12-9-8-10-13-18)27(21,32)19-14-16-20(29)17-15-19/h8-10,12-17,28-29,32H,5-7,11H2,1-4H3,(H,30,31)