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

Systemtic Name: 3-[(decylamino)-phenyl-methyl]-4-oxidanyl-naphthalene-1,2-dione Openeye Name: 3-[(decylamino)-phenyl-methyl]-4-hydroxy-naphthalene-1,2-dione CAS Name: 3-[(decylamino)-phenylmethyl]-4-hydroxynaphthalene-1,2-dione IUPAC Name: 3-[(decylamino)-phenylmethyl]-4-hydroxynaphthalene-1,2-dione Traditional Name: 3-[(decylamino)-phenyl-methyl]-4-hydroxy-1,2-naphthoquinone Formula: C27H33NO3 MolecularWeight: 419.55582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33NO3/c1-2-3-4-5-6-7-8-14-19-28-24(20-15-10-9-11-16-20)23-25(29)21-17-12-13-18-22(21)26(30)27(23)31/h9-13,15-18,24,28-29H,2-8,14,19H2,1H3