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

Systemtic Name: (E)-but-2-enedioic acid; N-(2-chloranyl-4-propan-2-yl-phenoxy)-N,2-dimethyl-3-phenyl-propan-1-amine Openeye Name: N-(2-chloro-4-isopropyl-phenoxy)-N,2-dimethyl-3-phenyl-propan-1-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; N-(2-chloro-4-propan-2-ylphenoxy)-N,2-dimethyl-3-phenyl-1-propanamine IUPAC Name: (E)-but-2-enedioic acid; N-(2-chloro-4-propan-2-ylphenoxy)-N,2-dimethyl-3-phenylpropan-1-amine Traditional Name: (2-chloro-4-isopropyl-phenoxy)-methyl-(2-methyl-3-phenyl-propyl)amine; fumaric acid Formula: C24H30ClNO5 MolecularWeight: 447.9517

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1)ON(C)CC(C)CC2=CC=CC=C2)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)C1=CC(=C(C=C1)ON(C)CC(C)CC2=CC=CC=C2)Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H26ClNO.C4H4O4/c1-15(2)18-10-11-20(19(21)13-18)23-22(4)14-16(3)12-17-8-6-5-7-9-17;5-3(6)1-2-4(7)8/h5-11,13,15-16H,12,14H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+