1-azanyl-2-methyl-4-[5-[3-(4-methylcyclohexyl)oxyprop-1-ynyl]thiophen-2-yl]butan-1-ol; (E)-but-2-enedioic acid

Systemtic Name: 1-azanyl-2-methyl-4-[5-[3-(4-methylcyclohexyl)oxyprop-1-ynyl]thiophen-2-yl]butan-1-ol; (E)-but-2-enedioic acid Openeye Name: 1-amino-2-methyl-4-[5-[3-(4-methylcyclohexoxy)prop-1-ynyl]-2-thienyl]butan-1-ol; fumaric acid CAS Name: 1-amino-2-methyl-4-[5-[3-(4-methylcyclohexyl)oxyprop-1-ynyl]-2-thiophenyl]-1-butanol; (E)-2-butenedioic acid IUPAC Name: 1-amino-2-methyl-4-[5-[3-(4-methylcyclohexyl)oxyprop-1-ynyl]thiophen-2-yl]butan-1-ol; (E)-but-2-enedioic acid Traditional Name: 1-amino-2-methyl-4-[5-[3-(4-methylcyclohexoxy)prop-1-ynyl]-2-thienyl]butan-1-ol; fumaric acid Formula: C23H33NO6S MolecularWeight: 451.57622

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)OCC#CC2=CC=C(S2)CCC(C)C(N)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1CCC(CC1)OCC#CC2=CC=C(S2)CCC(C)C(N)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H29NO2S.C4H4O4/c1-14-5-8-16(9-6-14)22-13-3-4-17-11-12-18(23-17)10-7-15(2)19(20)21;5-3(6)1-2-4(7)8/h11-12,14-16,19,21H,5-10,13,20H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+