4-chloranyl-2-[2-(3,5-dimethylphenyl)ethanoylamino]-5-prop-2-enyl-benzoic acid

Systemtic Name: 4-chloranyl-2-[2-(3,5-dimethylphenyl)ethanoylamino]-5-prop-2-enyl-benzoic acid Openeye Name: 5-allyl-4-chloro-2-[[2-(3,5-dimethylphenyl)acetyl]amino]benzoic acid CAS Name: 4-chloro-2-[[2-(3,5-dimethylphenyl)-1-oxoethyl]amino]-5-prop-2-enylbenzoic acid IUPAC Name: 4-chloro-2-[[2-(3,5-dimethylphenyl)acetyl]amino]-5-prop-2-enylbenzoic acid Traditional Name: 5-allyl-4-chloro-2-[[2-(3,5-dimethylphenyl)acetyl]amino]benzoic acid Formula: C20H20ClNO3 MolecularWeight: 357.8307

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CC(=O)NC2=CC(=C(C=C2C(=O)O)CC=C)Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)CC(=O)NC2=CC(=C(C=C2C(=O)O)CC=C)Cl)C

InChI

InChI=1S/C20H20ClNO3/c1-4-5-15-10-16(20(24)25)18(11-17(15)21)22-19(23)9-14-7-12(2)6-13(3)8-14/h4,6-8,10-11H,1,5,9H2,2-3H3,(H,22,23)(H,24,25)