3-[[octyl-(phenylmethyl)amino]methyl]-4-oxidanyl-naphthalene-1,2-dione

Systemtic Name: 3-[[octyl-(phenylmethyl)amino]methyl]-4-oxidanyl-naphthalene-1,2-dione Openeye Name: 3-[[benzyl(octyl)amino]methyl]-4-hydroxy-naphthalene-1,2-dione CAS Name: 4-hydroxy-3-[[octyl-(phenylmethyl)amino]methyl]naphthalene-1,2-dione IUPAC Name: 3-[[benzyl(octyl)amino]methyl]-4-hydroxynaphthalene-1,2-dione Traditional Name: 3-[[benzyl(octyl)amino]methyl]-4-hydroxy-1,2-naphthoquinone Formula: C26H31NO3 MolecularWeight: 405.52924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CC1=CC=CC=C1)CC2=C(C3=CC=CC=C3C(=O)C2=O)O

Isomeric SMILES

CCCCCCCCN(CC1=CC=CC=C1)CC2=C(C3=CC=CC=C3C(=O)C2=O)O

InChI

InChI=1S/C26H31NO3/c1-2-3-4-5-6-12-17-27(18-20-13-8-7-9-14-20)19-23-24(28)21-15-10-11-16-22(21)25(29)26(23)30/h7-11,13-16,28H,2-6,12,17-19H2,1H3