ethanedioate; 3-methyl-1,2-diphenyl-4-(1-phenylpropan-2-ylamino)butan-2-ol

Systemtic Name: ethanedioate; 3-methyl-1,2-diphenyl-4-(1-phenylpropan-2-ylamino)butan-2-ol Openeye Name: 3-methyl-4-[(1-methyl-2-phenyl-ethyl)amino]-1,2-diphenyl-butan-2-ol; oxalate CAS Name: 3-methyl-1,2-diphenyl-4-(1-phenylpropan-2-ylamino)-2-butanol; oxalate IUPAC Name: 3-methyl-1,2-diphenyl-4-(1-phenylpropan-2-ylamino)butan-2-ol; oxalate Traditional Name: 3-methyl-4-[(1-methyl-2-phenyl-ethyl)amino]-1,2-diphenyl-butan-2-ol; oxalate Formula: C28H31NO5-2 MolecularWeight: 461.54944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)NCC(C)C(CC2=CC=CC=C2)(C3=CC=CC=C3)O.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CC(CC1=CC=CC=C1)NCC(C)C(CC2=CC=CC=C2)(C3=CC=CC=C3)O.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C26H31NO.C2H2O4/c1-21(20-27-22(2)18-23-12-6-3-7-13-23)26(28,25-16-10-5-11-17-25)19-24-14-8-4-9-15-24;3-1(4)2(5)6/h3-17,21-22,27-28H,18-20H2,1-2H3;(H,3,4)(H,5,6)/p-2