ethyl 4-[[5-(5-ethyl-2-oxidanyl-3-propyl-phenyl)-2-oxidanyl-3-propyl-phenyl]methylamino]butanoate

Systemtic Name: ethyl 4-[[5-(5-ethyl-2-oxidanyl-3-propyl-phenyl)-2-oxidanyl-3-propyl-phenyl]methylamino]butanoate Openeye Name: ethyl 4-[[5-(5-ethyl-2-hydroxy-3-propyl-phenyl)-2-hydroxy-3-propyl-phenyl]methylamino]butanoate CAS Name: 4-[[5-(5-ethyl-2-hydroxy-3-propylphenyl)-2-hydroxy-3-propylphenyl]methylamino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[5-(5-ethyl-2-hydroxy-3-propylphenyl)-2-hydroxy-3-propylphenyl]methylamino]butanoate Traditional Name: 4-[[5-(5-ethyl-2-hydroxy-3-propyl-phenyl)-2-hydroxy-3-propyl-benzyl]amino]butyric acid ethyl ester Formula: C27H39NO4 MolecularWeight: 441.60286

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC(=C1)CC)C2=CC(=C(C(=C2)CNCCCC(=O)OCC)O)CCC)O

Isomeric SMILES

CCCC1=C(C(=CC(=C1)CC)C2=CC(=C(C(=C2)CNCCCC(=O)OCC)O)CCC)O

InChI

InChI=1S/C27H39NO4/c1-5-10-20-14-19(7-3)15-24(27(20)31)22-16-21(11-6-2)26(30)23(17-22)18-28-13-9-12-25(29)32-8-4/h14-17,28,30-31H,5-13,18H2,1-4H3