12-[[(E)-3-phenylprop-2-enoyl]amino]dodecanoic acid

Systemtic Name: 12-[[(E)-3-phenylprop-2-enoyl]amino]dodecanoic acid Openeye Name: 12-[[(E)-3-phenylprop-2-enoyl]amino]dodecanoic acid CAS Name: 12-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]dodecanoic acid IUPAC Name: 12-[[(E)-3-phenylprop-2-enoyl]amino]dodecanoic acid Traditional Name: 12-[[(E)-3-phenylacryloyl]amino]lauric acid Formula: C21H31NO3 MolecularWeight: 345.47574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(=O)NCCCCCCCCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C(=O)NCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C21H31NO3/c23-20(17-16-19-13-9-8-10-14-19)22-18-12-7-5-3-1-2-4-6-11-15-21(24)25/h8-10,13-14,16-17H,1-7,11-12,15,18H2,(H,22,23)(H,24,25)/b17-16+