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

Systemtic Name: 3-[(5-methyl-2-oxidanyl-phenyl)-[(phenylmethyl)amino]methyl]-4-oxidanyl-naphthalene-1,2-dione Openeye Name: 3-[(benzylamino)-(2-hydroxy-5-methyl-phenyl)methyl]-4-hydroxy-naphthalene-1,2-dione CAS Name: 4-hydroxy-3-[(2-hydroxy-5-methylphenyl)-[(phenylmethyl)amino]methyl]naphthalene-1,2-dione IUPAC Name: 3-[(benzylamino)-(2-hydroxy-5-methylphenyl)methyl]-4-hydroxynaphthalene-1,2-dione Traditional Name: 3-[(benzylamino)-(2-hydroxy-5-methyl-phenyl)methyl]-4-hydroxy-1,2-naphthoquinone Formula: C25H21NO4 MolecularWeight: 399.43854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(C2=C(C3=CC=CC=C3C(=O)C2=O)O)NCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(C2=C(C3=CC=CC=C3C(=O)C2=O)O)NCC4=CC=CC=C4

InChI

InChI=1S/C25H21NO4/c1-15-11-12-20(27)19(13-15)22(26-14-16-7-3-2-4-8-16)21-23(28)17-9-5-6-10-18(17)24(29)25(21)30/h2-13,22,26-28H,14H2,1H3