4-[4-(4-chloranyl-3-methyl-phenoxy)butanoylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[4-(4-chloranyl-3-methyl-phenoxy)butanoylamino]-3-methyl-benzoic acid Openeye Name: 4-[4-(4-chloro-3-methyl-phenoxy)butanoylamino]-3-methyl-benzoic acid CAS Name: 4-[[4-(4-chloro-3-methylphenoxy)-1-oxobutyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[4-(4-chloro-3-methylphenoxy)butanoylamino]-3-methylbenzoic acid Traditional Name: 4-[4-(4-chloro-3-methyl-phenoxy)butanoylamino]-3-methyl-benzoic acid Formula: C19H20ClNO4 MolecularWeight: 361.8194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CCCOC2=CC(=C(C=C2)Cl)C

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CCCOC2=CC(=C(C=C2)Cl)C

InChI

InChI=1S/C19H20ClNO4/c1-12-11-15(6-7-16(12)20)25-9-3-4-18(22)21-17-8-5-14(19(23)24)10-13(17)2/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,22)(H,23,24)