[4-acetyloxy-2,3-dimethoxy-7-(methylamino)naphthalen-1-yl] 2,2-dimethylhexanoate

Systemtic Name: [4-acetyloxy-2,3-dimethoxy-7-(methylamino)naphthalen-1-yl] 2,2-dimethylhexanoate Openeye Name: [4-acetoxy-2,3-dimethoxy-7-(methylamino)-1-naphthyl] 2,2-dimethylhexanoate CAS Name: 2,2-dimethylhexanoic acid [4-acetyloxy-2,3-dimethoxy-7-(methylamino)-1-naphthalenyl] ester IUPAC Name: [4-acetyloxy-2,3-dimethoxy-7-(methylamino)naphthalen-1-yl] 2,2-dimethylhexanoate Traditional Name: 2,2-dimethylhexanoic acid [4-acetoxy-2,3-dimethoxy-7-(methylamino)-1-naphthyl] ester Formula: C23H31NO6 MolecularWeight: 417.49534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C(=O)OC1=C(C(=C(C2=C1C=C(C=C2)NC)OC(=O)C)OC)OC

Isomeric SMILES

CCCCC(C)(C)C(=O)OC1=C(C(=C(C2=C1C=C(C=C2)NC)OC(=O)C)OC)OC

InChI

InChI=1S/C23H31NO6/c1-8-9-12-23(3,4)22(26)30-19-17-13-15(24-5)10-11-16(17)18(29-14(2)25)20(27-6)21(19)28-7/h10-11,13,24H,8-9,12H2,1-7H3