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

Systemtic Name: 5-methoxy-2-(methylamino)-7-[(E)-4-oxidanylbut-2-enyl]-6-(1-oxidanylhexyl)naphthalene-1,4-dione Openeye Name: 7-[(E)-4-hydroxybut-2-enyl]-6-(1-hydroxyhexyl)-5-methoxy-2-(methylamino)naphthalene-1,4-dione CAS Name: 7-[(E)-4-hydroxybut-2-enyl]-6-(1-hydroxyhexyl)-5-methoxy-2-(methylamino)naphthalene-1,4-dione IUPAC Name: 7-[(E)-4-hydroxybut-2-enyl]-6-(1-hydroxyhexyl)-5-methoxy-2-(methylamino)naphthalene-1,4-dione Traditional Name: 7-[(E)-4-hydroxybut-2-enyl]-6-(1-hydroxyhexyl)-5-methoxy-2-(methylamino)-1,4-naphthoquinone Formula: C22H29NO5 MolecularWeight: 387.46936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=C(C=C2C(=C1OC)C(=O)C=C(C2=O)NC)CC=CCO)O

Isomeric SMILES

CCCCCC(C1=C(C=C2C(=C1OC)C(=O)C=C(C2=O)NC)C/C=C/CO)O

InChI

InChI=1S/C22H29NO5/c1-4-5-6-10-17(25)19-14(9-7-8-11-24)12-15-20(22(19)28-3)18(26)13-16(23-2)21(15)27/h7-8,12-13,17,23-25H,4-6,9-11H2,1-3H3/b8-7+