3-[1-(octylamino)ethyl]-4-oxidanyl-naphthalene-1,2-dione

Systemtic Name: 3-[1-(octylamino)ethyl]-4-oxidanyl-naphthalene-1,2-dione Openeye Name: 4-hydroxy-3-[1-(octylamino)ethyl]naphthalene-1,2-dione CAS Name: 4-hydroxy-3-[1-(octylamino)ethyl]naphthalene-1,2-dione IUPAC Name: 4-hydroxy-3-[1-(octylamino)ethyl]naphthalene-1,2-dione Traditional Name: 4-hydroxy-3-[1-(octylamino)ethyl]-1,2-naphthoquinone Formula: C20H27NO3 MolecularWeight: 329.43328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(C)C1=C(C2=CC=CC=C2C(=O)C1=O)O

Isomeric SMILES

CCCCCCCCNC(C)C1=C(C2=CC=CC=C2C(=O)C1=O)O

InChI

InChI=1S/C20H27NO3/c1-3-4-5-6-7-10-13-21-14(2)17-18(22)15-11-8-9-12-16(15)19(23)20(17)24/h8-9,11-12,14,21-22H,3-7,10,13H2,1-2H3