4-[2-(3-chloranylphenoxy)propanoylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[2-(3-chloranylphenoxy)propanoylamino]-3-methyl-benzoic acid Openeye Name: 4-[2-(3-chlorophenoxy)propanoylamino]-3-methyl-benzoic acid CAS Name: 4-[[2-(3-chlorophenoxy)-1-oxopropyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[2-(3-chlorophenoxy)propanoylamino]-3-methylbenzoic acid Traditional Name: 4-[2-(3-chlorophenoxy)propanoylamino]-3-methyl-benzoic acid Formula: C17H16ClNO4 MolecularWeight: 333.76624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C(C)OC2=CC(=CC=C2)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C(C)OC2=CC(=CC=C2)Cl

InChI

InChI=1S/C17H16ClNO4/c1-10-8-12(17(21)22)6-7-15(10)19-16(20)11(2)23-14-5-3-4-13(18)9-14/h3-9,11H,1-2H3,(H,19,20)(H,21,22)