(E)-but-2-enedioic acid; 3-(2-methoxy-5-methyl-3-phenyl-phenyl)-N,N-di(propan-2-yl)propan-1-amine

Systemtic Name: (E)-but-2-enedioic acid; 3-(2-methoxy-5-methyl-3-phenyl-phenyl)-N,N-di(propan-2-yl)propan-1-amine Openeye Name: N,N-diisopropyl-3-(2-methoxy-5-methyl-3-phenyl-phenyl)propan-1-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-(2-methoxy-5-methyl-3-phenylphenyl)-N,N-di(propan-2-yl)-1-propanamine IUPAC Name: (E)-but-2-enedioic acid; 3-(2-methoxy-5-methyl-3-phenylphenyl)-N,N-di(propan-2-yl)propan-1-amine Traditional Name: diisopropyl-[3-(2-methoxy-5-methyl-3-phenyl-phenyl)propyl]amine; fumaric acid Formula: C27H37NO5 MolecularWeight: 455.58638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33NO.C4H4O4/c1-17(2)24(18(3)4)14-10-13-21-15-19(5)16-22(23(21)25-6)20-11-8-7-9-12-20;5-3(6)1-2-4(7)8/h7-9,11-12,15-18H,10,13-14H2,1-6H3;1-2H,(H,5,6)(H,7,8)/b;2-1+