3-[butylamino-(5-methyl-2-oxidanyl-phenyl)methyl]-4-oxidanyl-naphthalene-1,2-dione

Systemtic Name: 3-[butylamino-(5-methyl-2-oxidanyl-phenyl)methyl]-4-oxidanyl-naphthalene-1,2-dione Openeye Name: 3-[butylamino-(2-hydroxy-5-methyl-phenyl)methyl]-4-hydroxy-naphthalene-1,2-dione CAS Name: 3-[butylamino-(2-hydroxy-5-methylphenyl)methyl]-4-hydroxynaphthalene-1,2-dione IUPAC Name: 3-[butylamino-(2-hydroxy-5-methylphenyl)methyl]-4-hydroxynaphthalene-1,2-dione Traditional Name: 3-[butylamino-(2-hydroxy-5-methyl-phenyl)methyl]-4-hydroxy-1,2-naphthoquinone Formula: C22H23NO4 MolecularWeight: 365.42232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(C1=C(C=CC(=C1)C)O)C2=C(C3=CC=CC=C3C(=O)C2=O)O

Isomeric SMILES

CCCCNC(C1=C(C=CC(=C1)C)O)C2=C(C3=CC=CC=C3C(=O)C2=O)O

InChI

InChI=1S/C22H23NO4/c1-3-4-11-23-19(16-12-13(2)9-10-17(16)24)18-20(25)14-7-5-6-8-15(14)21(26)22(18)27/h5-10,12,19,23-25H,3-4,11H2,1-2H3