5-[1-oxidanyl-2-(7-phenethyloxyheptan-2-ylamino)ethyl]benzene-1,3-diol benzoate

Systemtic Name: 5-[1-oxidanyl-2-(7-phenethyloxyheptan-2-ylamino)ethyl]benzene-1,3-diol benzoate Openeye Name: 5-[1-hydroxy-2-[(1-methyl-6-phenethyloxy-hexyl)amino]ethyl]benzene-1,3-diol benzoate CAS Name: 5-[1-hydroxy-2-(7-phenethyloxyheptan-2-ylamino)ethyl]benzene-1,3-diol benzoate IUPAC Name: 5-[1-hydroxy-2-(7-phenethyloxyheptan-2-ylamino)ethyl]benzene-1,3-diol benzoate Traditional Name: 5-[1-hydroxy-2-[(1-methyl-6-phenethyloxy-hexyl)amino]ethyl]resorcinol benzoate Formula: C30H38NO6- MolecularWeight: 508.62582

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCOCCC1=CC=CC=C1)NCC(C2=CC(=CC(=C2)O)O)O.C1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CC(CCCCCOCCC1=CC=CC=C1)NCC(C2=CC(=CC(=C2)O)O)O.C1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C23H33NO4.C7H6O2/c1-18(24-17-23(27)20-14-21(25)16-22(26)15-20)8-4-3-7-12-28-13-11-19-9-5-2-6-10-19;8-7(9)6-4-2-1-3-5-6/h2,5-6,9-10,14-16,18,23-27H,3-4,7-8,11-13,17H2,1H3;1-5H,(H,8,9)/p-1