2-(methylamino)-5-oxidanyl-7-[(E)-4-oxidanylbut-2-enyl]-6-(1-oxidanylpentyl)naphthalene-1,4-dione

Systemtic Name: 2-(methylamino)-5-oxidanyl-7-[(E)-4-oxidanylbut-2-enyl]-6-(1-oxidanylpentyl)naphthalene-1,4-dione Openeye Name: 5-hydroxy-7-[(E)-4-hydroxybut-2-enyl]-6-(1-hydroxypentyl)-2-(methylamino)naphthalene-1,4-dione CAS Name: 5-hydroxy-7-[(E)-4-hydroxybut-2-enyl]-6-(1-hydroxypentyl)-2-(methylamino)naphthalene-1,4-dione IUPAC Name: 5-hydroxy-7-[(E)-4-hydroxybut-2-enyl]-6-(1-hydroxypentyl)-2-(methylamino)naphthalene-1,4-dione Traditional Name: 5-hydroxy-7-[(E)-4-hydroxybut-2-enyl]-6-(1-hydroxypentyl)-2-(methylamino)-1,4-naphthoquinone Formula: C20H25NO5 MolecularWeight: 359.4162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=C(C=C2C(=C1O)C(=O)C=C(C2=O)NC)CC=CCO)O

Isomeric SMILES

CCCCC(C1=C(C=C2C(=C1O)C(=O)C=C(C2=O)NC)C/C=C/CO)O

InChI

InChI=1S/C20H25NO5/c1-3-4-8-15(23)17-12(7-5-6-9-22)10-13-18(20(17)26)16(24)11-14(21-2)19(13)25/h5-6,10-11,15,21-23,26H,3-4,7-9H2,1-2H3/b6-5+