6-[4-(diethylamino)-2-oxidanyl-phenyl]carbonyl-6-hexyl-cyclohexa-2,4-diene-1-carboxylate

Systemtic Name: 6-[4-(diethylamino)-2-oxidanyl-phenyl]carbonyl-6-hexyl-cyclohexa-2,4-diene-1-carboxylate Openeye Name: 6-[4-(diethylamino)-2-hydroxy-benzoyl]-6-hexyl-cyclohexa-2,4-diene-1-carboxylate CAS Name: 6-[[4-(diethylamino)-2-hydroxyphenyl]-oxomethyl]-6-hexyl-1-cyclohexa-2,4-dienecarboxylate IUPAC Name: 6-[4-(diethylamino)-2-hydroxybenzoyl]-6-hexylcyclohexa-2,4-diene-1-carboxylate Traditional Name: 6-[4-(diethylamino)-2-hydroxy-benzoyl]-6-hexyl-cyclohexa-2,4-diene-1-carboxylate Formula: C24H32NO4- MolecularWeight: 398.51518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1(C=CC=CC1C(=O)[O-])C(=O)C2=C(C=C(C=C2)N(CC)CC)O

Isomeric SMILES

CCCCCCC1(C=CC=CC1C(=O)[O-])C(=O)C2=C(C=C(C=C2)N(CC)CC)O

InChI

InChI=1S/C24H33NO4/c1-4-7-8-10-15-24(16-11-9-12-20(24)23(28)29)22(27)19-14-13-18(17-21(19)26)25(5-2)6-3/h9,11-14,16-17,20,26H,4-8,10,15H2,1-3H3,(H,28,29)/p-1