2-[[(E)-3-(3,4-dichlorophenyl)but-2-enoyl]amino]-5-methoxy-4-methyl-benzoic acid

Systemtic Name: 2-[[(E)-3-(3,4-dichlorophenyl)but-2-enoyl]amino]-5-methoxy-4-methyl-benzoic acid Openeye Name: 2-[[(E)-3-(3,4-dichlorophenyl)but-2-enoyl]amino]-5-methoxy-4-methyl-benzoic acid CAS Name: 2-[[(E)-3-(3,4-dichlorophenyl)-1-oxobut-2-enyl]amino]-5-methoxy-4-methylbenzoic acid IUPAC Name: 2-[[(E)-3-(3,4-dichlorophenyl)but-2-enoyl]amino]-5-methoxy-4-methylbenzoic acid Traditional Name: 2-[[(E)-3-(3,4-dichlorophenyl)but-2-enoyl]amino]-5-methoxy-4-methyl-benzoic acid Formula: C19H17Cl2NO4 MolecularWeight: 394.24858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17Cl2NO4/c1-10(12-4-5-14(20)15(21)8-12)7-18(23)22-16-6-11(2)17(26-3)9-13(16)19(24)25/h4-9H,1-3H3,(H,22,23)(H,24,25)/b10-7+