N-[2-(diphenylmethyl)oxyethyl]-1-(3-methylphenoxy)propan-2-amine; ethanedioic acid

Systemtic Name: N-[2-(diphenylmethyl)oxyethyl]-1-(3-methylphenoxy)propan-2-amine; ethanedioic acid Openeye Name: N-(2-benzhydryloxyethyl)-1-(3-methylphenoxy)propan-2-amine; oxalic acid CAS Name: N-[2-(diphenylmethyl)oxyethyl]-1-(3-methylphenoxy)-2-propanamine; oxalic acid IUPAC Name: N-(2-benzhydryloxyethyl)-1-(3-methylphenoxy)propan-2-amine; oxalic acid Traditional Name: 2-benzhydryloxyethyl-[1-methyl-2-(3-methylphenoxy)ethyl]amine; oxalic acid Formula: C52H60N2O8 MolecularWeight: 841.0414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(C)NCCOC(C2=CC=CC=C2)C3=CC=CC=C3.CC1=CC(=CC=C1)OCC(C)NCCOC(C2=CC=CC=C2)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC=C1)OCC(C)NCCOC(C2=CC=CC=C2)C3=CC=CC=C3.CC1=CC(=CC=C1)OCC(C)NCCOC(C2=CC=CC=C2)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/2C25H29NO2.C2H2O4/c2*1-20-10-9-15-24(18-20)28-19-21(2)26-16-17-27-25(22-11-5-3-6-12-22)23-13-7-4-8-14-23;3-1(4)2(5)6/h2*3-15,18,21,25-26H,16-17,19H2,1-2H3;(H,3,4)(H,5,6)