[(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenyl-butan-2-yl] propanoate; N-(4-hydroxyphenyl)ethanamide; naphthalene-2-sulfonic acid

Systemtic Name: [(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenyl-butan-2-yl] propanoate; N-(4-hydroxyphenyl)ethanamide; naphthalene-2-sulfonic acid Openeye Name: [(1S,2R)-1-benzyl-3-(dimethylamino)-2-methyl-1-phenyl-propyl] propanoate; N-(4-hydroxyphenyl)acetamide; naphthalene-2-sulfonic acid CAS Name: N-(4-hydroxyphenyl)acetamide; 2-naphthalenesulfonic acid; propanoic acid [(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] ester IUPAC Name: [(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate; N-(4-hydroxyphenyl)acetamide; naphthalene-2-sulfonic acid Traditional Name: N-(4-hydroxyphenyl)acetamide; naphthalene-2-sulfonic acid; propionic acid [(1S,2R)-1-benzyl-3-(dimethylamino)-2-methyl-1-phenyl-propyl] ester Formula: C40H46N2O7S MolecularWeight: 698.86744

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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.CC(=O)NC1=CC=C(C=C1)O.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O

Isomeric SMILES

CCC(=O)O[C@](CC1=CC=CC=C1)(C2=CC=CC=C2)[C@H](C)CN(C)C.CC(=O)NC1=CC=C(C=C1)O.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O

InChI

InChI=1S/C22H29NO2.C10H8O3S.C8H9NO2/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;1-6(10)9-7-2-4-8(11)5-3-7/h6-15,18H,5,16-17H2,1-4H3;1-7H,(H,11,12,13);2-5,11H,1H3,(H,9,10)/t18-,22+;;/m1../s1