2-[[(E)-dodec-2-enoyl]amino]-3-(2-methoxy-4-oxidanyl-phenyl)propanoic acid

Systemtic Name: 2-[[(E)-dodec-2-enoyl]amino]-3-(2-methoxy-4-oxidanyl-phenyl)propanoic acid Openeye Name: 2-[[(E)-dodec-2-enoyl]amino]-3-(4-hydroxy-2-methoxy-phenyl)propanoic acid CAS Name: 3-(4-hydroxy-2-methoxyphenyl)-2-[[(E)-1-oxododec-2-enyl]amino]propanoic acid IUPAC Name: 2-[[(E)-dodec-2-enoyl]amino]-3-(4-hydroxy-2-methoxyphenyl)propanoic acid Traditional Name: 2-[[(E)-dodec-2-enoyl]amino]-3-(4-hydroxy-2-methoxy-phenyl)propionic acid Formula: C22H33NO5 MolecularWeight: 391.50112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC=CC(=O)NC(CC1=C(C=C(C=C1)O)OC)C(=O)O

Isomeric SMILES

CCCCCCCCC/C=C/C(=O)NC(CC1=C(C=C(C=C1)O)OC)C(=O)O

InChI

InChI=1S/C22H33NO5/c1-3-4-5-6-7-8-9-10-11-12-21(25)23-19(22(26)27)15-17-13-14-18(24)16-20(17)28-2/h11-14,16,19,24H,3-10,15H2,1-2H3,(H,23,25)(H,26,27)/b12-11+