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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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