1-azanyl-2-methyl-4-[5-(4-phenylmethoxybutyl)thiophen-2-yl]butan-1-ol; (E)-but-2-enedioic acid

Systemtic Name: 1-azanyl-2-methyl-4-[5-(4-phenylmethoxybutyl)thiophen-2-yl]butan-1-ol; (E)-but-2-enedioic acid Openeye Name: 1-amino-4-[5-(4-benzyloxybutyl)-2-thienyl]-2-methyl-butan-1-ol; fumaric acid CAS Name: 1-amino-2-methyl-4-[5-(4-phenylmethoxybutyl)-2-thiophenyl]-1-butanol; (E)-2-butenedioic acid IUPAC Name: 1-amino-2-methyl-4-[5-(4-phenylmethoxybutyl)thiophen-2-yl]butan-1-ol; (E)-but-2-enedioic acid Traditional Name: 1-amino-4-[5-(4-benzoxybutyl)-2-thienyl]-2-methyl-butan-1-ol; fumaric acid Formula: C24H33NO6S MolecularWeight: 463.58692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(S1)CCCCOCC2=CC=CC=C2)C(N)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(CCC1=CC=C(S1)CCCCOCC2=CC=CC=C2)C(N)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H29NO2S.C4H4O4/c1-16(20(21)22)10-11-19-13-12-18(24-19)9-5-6-14-23-15-17-7-3-2-4-8-17;5-3(6)1-2-4(7)8/h2-4,7-8,12-13,16,20,22H,5-6,9-11,14-15,21H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+