octan-3-yl 2-[[4-(diethylamino)-2-oxidanyl-phenyl]-oxidanyl-methyl]benzoate

Systemtic Name: octan-3-yl 2-[[4-(diethylamino)-2-oxidanyl-phenyl]-oxidanyl-methyl]benzoate Openeye Name: 1-ethylhexyl 2-[[4-(diethylamino)-2-hydroxy-phenyl]-hydroxy-methyl]benzoate CAS Name: 2-[[4-(diethylamino)-2-hydroxyphenyl]-hydroxymethyl]benzoic acid octan-3-yl ester IUPAC Name: octan-3-yl 2-[[4-(diethylamino)-2-hydroxyphenyl]-hydroxymethyl]benzoate Traditional Name: 2-[[4-(diethylamino)-2-hydroxy-phenyl]-hydroxy-methyl]benzoic acid 1-ethylhexyl ester Formula: C26H37NO4 MolecularWeight: 427.57628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)OC(=O)C1=CC=CC=C1C(C2=C(C=C(C=C2)N(CC)CC)O)O

Isomeric SMILES

CCCCCC(CC)OC(=O)C1=CC=CC=C1C(C2=C(C=C(C=C2)N(CC)CC)O)O

InChI

InChI=1S/C26H37NO4/c1-5-9-10-13-20(6-2)31-26(30)22-15-12-11-14-21(22)25(29)23-17-16-19(18-24(23)28)27(7-3)8-4/h11-12,14-18,20,25,28-29H,5-10,13H2,1-4H3