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

Systemtic Name: 4-[[(E)-3-(3-chloranyl-5-methoxy-4-propan-2-yloxy-phenyl)prop-2-enoyl]amino]-3-methyl-benzoic acid Openeye Name: 4-[[(E)-3-(3-chloro-4-isopropoxy-5-methoxy-phenyl)prop-2-enoyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[(E)-3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-1-oxoprop-2-enyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[(E)-3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)prop-2-enoyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[(E)-3-(3-chloro-4-isopropoxy-5-methoxy-phenyl)acryloyl]amino]-3-methyl-benzoic acid Formula: C21H22ClNO5 MolecularWeight: 403.85608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C=CC2=CC(=C(C(=C2)Cl)OC(C)C)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)/C=C/C2=CC(=C(C(=C2)Cl)OC(C)C)OC

InChI

InChI=1S/C21H22ClNO5/c1-12(2)28-20-16(22)10-14(11-18(20)27-4)5-8-19(24)23-17-7-6-15(21(25)26)9-13(17)3/h5-12H,1-4H3,(H,23,24)(H,25,26)/b8-5+