4-oxidanylbutyl 3-[4-[[(E)-10-thiophen-2-yldec-9-enyl]amino]phenyl]propanoate

Systemtic Name: 4-oxidanylbutyl 3-[4-[[(E)-10-thiophen-2-yldec-9-enyl]amino]phenyl]propanoate Openeye Name: 4-hydroxybutyl 3-[4-[[(E)-10-(2-thienyl)dec-9-enyl]amino]phenyl]propanoate CAS Name: 3-[4-[[(E)-10-thiophen-2-yldec-9-enyl]amino]phenyl]propanoic acid 4-hydroxybutyl ester IUPAC Name: 4-hydroxybutyl 3-[4-[[(E)-10-thiophen-2-yldec-9-enyl]amino]phenyl]propanoate Traditional Name: 3-[4-[[(E)-10-(2-thienyl)dec-9-enyl]amino]phenyl]propionic acid 4-hydroxybutyl ester Formula: C27H39NO3S MolecularWeight: 457.66846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C=CCCCCCCCCNC2=CC=C(C=C2)CCC(=O)OCCCCO

Isomeric SMILES

C1=CSC(=C1)/C=C/CCCCCCCCNC2=CC=C(C=C2)CCC(=O)OCCCCO

InChI

InChI=1S/C27H39NO3S/c29-21-9-10-22-31-27(30)19-16-24-14-17-25(18-15-24)28-20-8-6-4-2-1-3-5-7-12-26-13-11-23-32-26/h7,11-15,17-18,23,28-29H,1-6,8-10,16,19-22H2/b12-7+