5-[[[(E)-3-(3-chloranyl-5-methoxy-4-propan-2-yloxy-phenyl)prop-2-enoyl]amino]methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[[(E)-3-(3-chloranyl-5-methoxy-4-propan-2-yloxy-phenyl)prop-2-enoyl]amino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[[(E)-3-(3-chloro-4-isopropoxy-5-methoxy-phenyl)prop-2-enoyl]amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[(E)-3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-1-oxoprop-2-enyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[[(E)-3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)prop-2-enoyl]amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[[(E)-3-(3-chloro-4-isopropoxy-5-methoxy-phenyl)acryloyl]amino]methyl]-2-methoxy-benzoic acid Formula: C22H24ClNO6 MolecularWeight: 433.88206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1Cl)C=CC(=O)NCC2=CC(=C(C=C2)OC)C(=O)O)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1Cl)/C=C/C(=O)NCC2=CC(=C(C=C2)OC)C(=O)O)OC

InChI

InChI=1S/C22H24ClNO6/c1-13(2)30-21-17(23)10-14(11-19(21)29-4)6-8-20(25)24-12-15-5-7-18(28-3)16(9-15)22(26)27/h5-11,13H,12H2,1-4H3,(H,24,25)(H,26,27)/b8-6+