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

Systemtic Name: [3-(4-butylnaphthalen-1-yl)oxy-3-(furan-3-yl)-1-(methylamino)propyl] methanesulfonate Openeye Name: [3-[(4-butyl-1-naphthyl)oxy]-3-(3-furyl)-1-(methylamino)propyl] methanesulfonate CAS Name: methanesulfonic acid [3-[(4-butyl-1-naphthalenyl)oxy]-3-(3-furanyl)-1-(methylamino)propyl] ester IUPAC Name: [3-(4-butylnaphthalen-1-yl)oxy-3-(furan-3-yl)-1-(methylamino)propyl] methanesulfonate Traditional Name: methanesulfonic acid [3-(4-butyl-1-naphthoxy)-3-(3-furyl)-1-(methylamino)propyl] ester Formula: C23H29NO5S MolecularWeight: 431.54506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO5S/c1-4-5-8-17-11-12-21(20-10-7-6-9-19(17)20)28-22(18-13-14-27-16-18)15-23(24-2)29-30(3,25)26/h6-7,9-14,16,22-24H,4-5,8,15H2,1-3H3