ethanedioate; 3-methyl-1-phenyl-2-(phenylmethyl)-4-(1-phenylpropan-2-ylamino)butan-2-ol

Systemtic Name: ethanedioate; 3-methyl-1-phenyl-2-(phenylmethyl)-4-(1-phenylpropan-2-ylamino)butan-2-ol Openeye Name: 2-benzyl-3-methyl-4-[(1-methyl-2-phenyl-ethyl)amino]-1-phenyl-butan-2-ol; oxalate CAS Name: 3-methyl-1-phenyl-2-(phenylmethyl)-4-(1-phenylpropan-2-ylamino)-2-butanol; oxalate IUPAC Name: 2-benzyl-3-methyl-1-phenyl-4-(1-phenylpropan-2-ylamino)butan-2-ol; oxalate Traditional Name: 2-benzyl-3-methyl-4-[(1-methyl-2-phenyl-ethyl)amino]-1-phenyl-butan-2-ol; oxalate Formula: C29H33NO5-2 MolecularWeight: 475.57602

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)NCC(C)C(CC2=CC=CC=C2)(CC3=CC=CC=C3)O.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CC(CC1=CC=CC=C1)NCC(C)C(CC2=CC=CC=C2)(CC3=CC=CC=C3)O.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C27H33NO.C2H2O4/c1-22(21-28-23(2)18-24-12-6-3-7-13-24)27(29,19-25-14-8-4-9-15-25)20-26-16-10-5-11-17-26;3-1(4)2(5)6/h3-17,22-23,28-29H,18-21H2,1-2H3;(H,3,4)(H,5,6)/p-2