[1-(dimethylamino)-2-(dimethylaminomethyl)-4-phenyl-butan-2-yl] 4-butoxybenzoate

Systemtic Name: [1-(dimethylamino)-2-(dimethylaminomethyl)-4-phenyl-butan-2-yl] 4-butoxybenzoate Openeye Name: [1,1-bis(dimethylaminomethyl)-3-phenyl-propyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [1-(dimethylamino)-2-(dimethylaminomethyl)-4-phenylbutan-2-yl] ester IUPAC Name: [1-(dimethylamino)-2-(dimethylaminomethyl)-4-phenylbutan-2-yl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [1,1-bis(dimethylaminomethyl)-3-phenyl-propyl] ester Formula: C26H38N2O3 MolecularWeight: 426.59152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC(CCC2=CC=CC=C2)(CN(C)C)CN(C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OC(CCC2=CC=CC=C2)(CN(C)C)CN(C)C

InChI

InChI=1S/C26H38N2O3/c1-6-7-19-30-24-15-13-23(14-16-24)25(29)31-26(20-27(2)3,21-28(4)5)18-17-22-11-9-8-10-12-22/h8-16H,6-7,17-21H2,1-5H3