[3-(4-butylnaphthalen-1-yl)oxy-1-(methylamino)-1-(3-methylphenyl)propyl] methanesulfonate

Systemtic Name: [3-(4-butylnaphthalen-1-yl)oxy-1-(methylamino)-1-(3-methylphenyl)propyl] methanesulfonate Openeye Name: [3-[(4-butyl-1-naphthyl)oxy]-1-(methylamino)-1-(m-tolyl)propyl] methanesulfonate CAS Name: methanesulfonic acid [3-[(4-butyl-1-naphthalenyl)oxy]-1-(methylamino)-1-(3-methylphenyl)propyl] ester IUPAC Name: [3-(4-butylnaphthalen-1-yl)oxy-1-(methylamino)-1-(3-methylphenyl)propyl] methanesulfonate Traditional Name: methanesulfonic acid [3-(4-butyl-1-naphthoxy)-1-(methylamino)-1-(m-tolyl)propyl] ester Formula: C26H33NO4S MolecularWeight: 455.60952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C2=CC=CC=C12)OCCC(C3=CC=CC(=C3)C)(NC)OS(=O)(=O)C

Isomeric SMILES

CCCCC1=CC=C(C2=CC=CC=C12)OCCC(C3=CC=CC(=C3)C)(NC)OS(=O)(=O)C

InChI

InChI=1S/C26H33NO4S/c1-5-6-11-21-15-16-25(24-14-8-7-13-23(21)24)30-18-17-26(27-3,31-32(4,28)29)22-12-9-10-20(2)19-22/h7-10,12-16,19,27H,5-6,11,17-18H2,1-4H3