4-[3-methyl-1,3-bis(oxidanyl)-2-(4-phenylbutan-2-ylamino)butyl]benzene-1,2-diol

Systemtic Name: 4-[3-methyl-1,3-bis(oxidanyl)-2-(4-phenylbutan-2-ylamino)butyl]benzene-1,2-diol Openeye Name: 4-[1,3-dihydroxy-3-methyl-2-[(1-methyl-3-phenyl-propyl)amino]butyl]benzene-1,2-diol CAS Name: 4-[1,3-dihydroxy-3-methyl-2-(4-phenylbutan-2-ylamino)butyl]benzene-1,2-diol IUPAC Name: 4-[1,3-dihydroxy-3-methyl-2-(4-phenylbutan-2-ylamino)butyl]benzene-1,2-diol Traditional Name: 4-[1,3-dihydroxy-3-methyl-2-[(1-methyl-3-phenyl-propyl)amino]butyl]pyrocatechol Formula: C21H29NO4 MolecularWeight: 359.45926

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(C(C2=CC(=C(C=C2)O)O)O)C(C)(C)O

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(C(C2=CC(=C(C=C2)O)O)O)C(C)(C)O

InChI

InChI=1S/C21H29NO4/c1-14(9-10-15-7-5-4-6-8-15)22-20(21(2,3)26)19(25)16-11-12-17(23)18(24)13-16/h4-8,11-14,19-20,22-26H,9-10H2,1-3H3