3-[4-[2-[(5-chloranyl-2-prop-2-enoxy-phenyl)carbonylamino]ethyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[2-[(5-chloranyl-2-prop-2-enoxy-phenyl)carbonylamino]ethyl]phenyl]propanoic acid Openeye Name: 3-[4-[2-[(2-allyloxy-5-chloro-benzoyl)amino]ethyl]phenyl]propanoic acid CAS Name: 3-[4-[2-[[(5-chloro-2-prop-2-enoxyphenyl)-oxomethyl]amino]ethyl]phenyl]propanoic acid IUPAC Name: 3-[4-[2-[(5-chloro-2-prop-2-enoxybenzoyl)amino]ethyl]phenyl]propanoic acid Traditional Name: 3-[4-[2-[(2-allyloxy-5-chloro-benzoyl)amino]ethyl]phenyl]propionic acid Formula: C21H22ClNO4 MolecularWeight: 387.85668

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)CCC(=O)O

Isomeric SMILES

C=CCOC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)CCC(=O)O

InChI

InChI=1S/C21H22ClNO4/c1-2-13-27-19-9-8-17(22)14-18(19)21(26)23-12-11-16-5-3-15(4-6-16)7-10-20(24)25/h2-6,8-9,14H,1,7,10-13H2,(H,23,26)(H,24,25)