(E)-but-2-enedioic acid; N,2-dimethyl-3-(2-methyl-4-propan-2-yloxy-phenoxy)-3-phenyl-propan-1-amine

Systemtic Name: (E)-but-2-enedioic acid; N,2-dimethyl-3-(2-methyl-4-propan-2-yloxy-phenoxy)-3-phenyl-propan-1-amine Openeye Name: fumaric acid; 3-(4-isopropoxy-2-methyl-phenoxy)-N,2-dimethyl-3-phenyl-propan-1-amine CAS Name: (E)-2-butenedioic acid; N,2-dimethyl-3-(2-methyl-4-propan-2-yloxyphenoxy)-3-phenyl-1-propanamine IUPAC Name: (E)-but-2-enedioic acid; N,2-dimethyl-3-(2-methyl-4-propan-2-yloxyphenoxy)-3-phenylpropan-1-amine Traditional Name: fumaric acid; [3-(4-isopropoxy-2-methyl-phenoxy)-2-methyl-3-phenyl-propyl]-methyl-amine Formula: C25H33NO6 MolecularWeight: 443.53262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC(C)C)OC(C2=CC=CC=C2)C(C)CNC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)OC(C)C)OC(C2=CC=CC=C2)C(C)CNC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H29NO2.C4H4O4/c1-15(2)23-19-11-12-20(16(3)13-19)24-21(17(4)14-22-5)18-9-7-6-8-10-18;5-3(6)1-2-4(7)8/h6-13,15,17,21-22H,14H2,1-5H3;1-2H,(H,5,6)(H,7,8)/b;2-1+