methyl (E)-3-[4-(12-azanyldodecanoylamino)phenyl]prop-2-enoate

Systemtic Name: methyl (E)-3-[4-(12-azanyldodecanoylamino)phenyl]prop-2-enoate Openeye Name: methyl (E)-3-[4-(12-aminododecanoylamino)phenyl]prop-2-enoate CAS Name: (E)-3-[4-[(12-amino-1-oxododecyl)amino]phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[4-(12-aminododecanoylamino)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(12-aminododecanoylamino)phenyl]acrylic acid methyl ester Formula: C22H34N2O3 MolecularWeight: 374.51696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=CC=C(C=C1)NC(=O)CCCCCCCCCCCN

Isomeric SMILES

COC(=O)/C=C/C1=CC=C(C=C1)NC(=O)CCCCCCCCCCCN

InChI

InChI=1S/C22H34N2O3/c1-27-22(26)17-14-19-12-15-20(16-13-19)24-21(25)11-9-7-5-3-2-4-6-8-10-18-23/h12-17H,2-11,18,23H2,1H3,(H,24,25)/b17-14+