(E)-but-2-enedioic acid; 4-[(3-methoxyphenyl)methoxy]-4-phenyl-butan-2-amine

Systemtic Name: (E)-but-2-enedioic acid; 4-[(3-methoxyphenyl)methoxy]-4-phenyl-butan-2-amine Openeye Name: fumaric acid; 4-[(3-methoxyphenyl)methoxy]-4-phenyl-butan-2-amine CAS Name: (E)-2-butenedioic acid; 4-[(3-methoxyphenyl)methoxy]-4-phenyl-2-butanamine IUPAC Name: (E)-but-2-enedioic acid; 4-[(3-methoxyphenyl)methoxy]-4-phenylbutan-2-amine Traditional Name: fumaric acid; (3-m-anisyloxy-1-methyl-3-phenyl-propyl)amine Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C1=CC=CC=C1)OCC2=CC(=CC=C2)OC)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(CC(C1=CC=CC=C1)OCC2=CC(=CC=C2)OC)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H23NO2.C4H4O4/c1-14(19)11-18(16-8-4-3-5-9-16)21-13-15-7-6-10-17(12-15)20-2;5-3(6)1-2-4(7)8/h3-10,12,14,18H,11,13,19H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+