(E)-but-2-enedioic acid; 3-(2-chloranyl-4-propan-2-yl-phenoxy)-2-methyl-3-phenyl-propan-1-amine

Systemtic Name: (E)-but-2-enedioic acid; 3-(2-chloranyl-4-propan-2-yl-phenoxy)-2-methyl-3-phenyl-propan-1-amine Openeye Name: 3-(2-chloro-4-isopropyl-phenoxy)-2-methyl-3-phenyl-propan-1-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-(2-chloro-4-propan-2-ylphenoxy)-2-methyl-3-phenyl-1-propanamine IUPAC Name: (E)-but-2-enedioic acid; 3-(2-chloro-4-propan-2-ylphenoxy)-2-methyl-3-phenylpropan-1-amine Traditional Name: [3-(2-chloro-4-isopropyl-phenoxy)-2-methyl-3-phenyl-propyl]amine; fumaric acid Formula: C23H28ClNO5 MolecularWeight: 433.92512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1)OC(C2=CC=CC=C2)C(C)CN)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)C1=CC(=C(C=C1)OC(C2=CC=CC=C2)C(C)CN)Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H24ClNO.C4H4O4/c1-13(2)16-9-10-18(17(20)11-16)22-19(14(3)12-21)15-7-5-4-6-8-15;5-3(6)1-2-4(7)8/h4-11,13-14,19H,12,21H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+