(E)-3-[4-(12-azanyldodecanoylamino)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-(12-azanyldodecanoylamino)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(12-aminododecanoylamino)phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[(12-amino-1-oxododecyl)amino]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(12-aminododecanoylamino)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(12-aminododecanoylamino)phenyl]acrylic acid Formula: C21H32N2O3 MolecularWeight: 360.49038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)O)NC(=O)CCCCCCCCCCCN

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O3/c22-17-9-7-5-3-1-2-4-6-8-10-20(24)23-19-14-11-18(12-15-19)13-16-21(25)26/h11-16H,1-10,17,22H2,(H,23,24)(H,25,26)/b16-13+