5-[1-oxidanyl-2-[5-(4-phenylbutoxy)pentylamino]ethyl]benzene-1,3-diol benzoate

Systemtic Name: 5-[1-oxidanyl-2-[5-(4-phenylbutoxy)pentylamino]ethyl]benzene-1,3-diol benzoate Openeye Name: 5-[1-hydroxy-2-[5-(4-phenylbutoxy)pentylamino]ethyl]benzene-1,3-diol benzoate CAS Name: 5-[1-hydroxy-2-[5-(4-phenylbutoxy)pentylamino]ethyl]benzene-1,3-diol benzoate IUPAC Name: 5-[1-hydroxy-2-[5-(4-phenylbutoxy)pentylamino]ethyl]benzene-1,3-diol benzoate Traditional Name: 5-[1-hydroxy-2-[5-(4-phenylbutoxy)pentylamino]ethyl]resorcinol benzoate Formula: C30H38NO6- MolecularWeight: 508.62582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33NO4.C7H6O2/c25-21-15-20(16-22(26)17-21)23(27)18-24-12-6-2-7-13-28-14-8-5-11-19-9-3-1-4-10-19;8-7(9)6-4-2-1-3-5-6/h1,3-4,9-10,15-17,23-27H,2,5-8,11-14,18H2;1-5H,(H,8,9)/p-1