4-[2-[7-(4-tert-butylphenoxy)heptan-2-ylamino]-1-oxidanyl-ethyl]benzene-1,2-diol

Systemtic Name: 4-[2-[7-(4-tert-butylphenoxy)heptan-2-ylamino]-1-oxidanyl-ethyl]benzene-1,2-diol Openeye Name: 4-[2-[[6-(4-tert-butylphenoxy)-1-methyl-hexyl]amino]-1-hydroxy-ethyl]benzene-1,2-diol CAS Name: 4-[2-[7-(4-tert-butylphenoxy)heptan-2-ylamino]-1-hydroxyethyl]benzene-1,2-diol IUPAC Name: 4-[2-[7-(4-tert-butylphenoxy)heptan-2-ylamino]-1-hydroxyethyl]benzene-1,2-diol Traditional Name: 4-[2-[[6-(4-tert-butylphenoxy)-1-methyl-hexyl]amino]-1-hydroxy-ethyl]pyrocatechol Formula: C25H37NO4 MolecularWeight: 415.56558

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCOC1=CC=C(C=C1)C(C)(C)C)NCC(C2=CC(=C(C=C2)O)O)O

Isomeric SMILES

CC(CCCCCOC1=CC=C(C=C1)C(C)(C)C)NCC(C2=CC(=C(C=C2)O)O)O

InChI

InChI=1S/C25H37NO4/c1-18(26-17-24(29)19-9-14-22(27)23(28)16-19)8-6-5-7-15-30-21-12-10-20(11-13-21)25(2,3)4/h9-14,16,18,24,26-29H,5-8,15,17H2,1-4H3