[4-(dimethylamino)-3-methyl-1,2-diphenyl-butan-2-yl] propanoate; naphthalene-2-sulfonate

Systemtic Name: [4-(dimethylamino)-3-methyl-1,2-diphenyl-butan-2-yl] propanoate; naphthalene-2-sulfonate Openeye Name: [1-benzyl-3-(dimethylamino)-2-methyl-1-phenyl-propyl] propanoate; naphthalene-2-sulfonate CAS Name: 2-naphthalenesulfonate; propanoic acid [4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] ester IUPAC Name: [4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate; naphthalene-2-sulfonate Traditional Name: naphthalene-2-sulfonate; propionic acid [1-benzyl-3-(dimethylamino)-2-methyl-1-phenyl-propyl] ester Formula: C32H36NO5S- MolecularWeight: 546.69694

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC(CC1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN(C)C.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCC(=O)OC(CC1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN(C)C.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C22H29NO2.C10H8O3S/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19;11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h6-15,18H,5,16-17H2,1-4H3;1-7H,(H,11,12,13)/p-1