ethanedioate; 2-methyl-N-[2-[(4-methylphenyl)-phenyl-methoxy]ethyl]-1-phenyl-propan-2-amine

Systemtic Name: ethanedioate; 2-methyl-N-[2-[(4-methylphenyl)-phenyl-methoxy]ethyl]-1-phenyl-propan-2-amine Openeye Name: 2-methyl-1-phenyl-N-[2-[phenyl(p-tolyl)methoxy]ethyl]propan-2-amine; oxalate CAS Name: 2-methyl-N-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]-1-phenyl-2-propanamine; oxalate IUPAC Name: 2-methyl-N-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]-1-phenylpropan-2-amine; oxalate Traditional Name: (1,1-dimethyl-2-phenyl-ethyl)-[2-[phenyl(p-tolyl)methoxy]ethyl]amine; oxalate Formula: C54H62N2O6-2 MolecularWeight: 835.07988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C26H31NO.C2H2O4/c2*1-21-14-16-24(17-15-21)25(23-12-8-5-9-13-23)28-19-18-27-26(2,3)20-22-10-6-4-7-11-22;3-1(4)2(5)6/h2*4-17,25,27H,18-20H2,1-3H3;(H,3,4)(H,5,6)/p-2