2-azanyl-1-[4-hexyl-2-[(3-methoxyphenyl)methyl]phenyl]ethanol; (E)-but-2-enedioic acid

Systemtic Name: 2-azanyl-1-[4-hexyl-2-[(3-methoxyphenyl)methyl]phenyl]ethanol; (E)-but-2-enedioic acid Openeye Name: 2-amino-1-[4-hexyl-2-[(3-methoxyphenyl)methyl]phenyl]ethanol; fumaric acid CAS Name: 2-amino-1-[4-hexyl-2-[(3-methoxyphenyl)methyl]phenyl]ethanol; (E)-2-butenedioic acid IUPAC Name: 2-amino-1-[4-hexyl-2-[(3-methoxyphenyl)methyl]phenyl]ethanol; (E)-but-2-enedioic acid Traditional Name: 2-amino-1-(4-hexyl-2-m-anisyl-phenyl)ethanol; fumaric acid Formula: C26H35NO6 MolecularWeight: 457.5592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=C(C=C1)C(CN)O)CC2=CC(=CC=C2)OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCC1=CC(=C(C=C1)C(CN)O)CC2=CC(=CC=C2)OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H31NO2.C4H4O4/c1-3-4-5-6-8-17-11-12-21(22(24)16-23)19(13-17)14-18-9-7-10-20(15-18)25-2;5-3(6)1-2-4(7)8/h7,9-13,15,22,24H,3-6,8,14,16,23H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+