4-[[(E)-3-[4-[2-[(5-chloranyl-2-methoxy-phenyl)carbonylamino]ethyl]phenyl]prop-2-enoyl]amino]benzoic acid

Systemtic Name: 4-[[(E)-3-[4-[2-[(5-chloranyl-2-methoxy-phenyl)carbonylamino]ethyl]phenyl]prop-2-enoyl]amino]benzoic acid Openeye Name: 4-[[(E)-3-[4-[2-[(5-chloro-2-methoxy-benzoyl)amino]ethyl]phenyl]prop-2-enoyl]amino]benzoic acid CAS Name: 4-[[(E)-3-[4-[2-[[(5-chloro-2-methoxyphenyl)-oxomethyl]amino]ethyl]phenyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-[[(E)-3-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]prop-2-enoyl]amino]benzoic acid Traditional Name: 4-[[(E)-3-[4-[2-[(5-chloro-2-methoxy-benzoyl)amino]ethyl]phenyl]acryloyl]amino]benzoic acid Formula: C26H23ClN2O5 MolecularWeight: 478.92422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)C=CC(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)/C=C/C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C26H23ClN2O5/c1-34-23-12-9-20(27)16-22(23)25(31)28-15-14-18-4-2-17(3-5-18)6-13-24(30)29-21-10-7-19(8-11-21)26(32)33/h2-13,16H,14-15H2,1H3,(H,28,31)(H,29,30)(H,32,33)/b13-6+