4-[[2-(3,5-dimethylphenoxy)ethanoylamino]methyl]benzoic acid

Systemtic Name: 4-[[2-(3,5-dimethylphenoxy)ethanoylamino]methyl]benzoic acid Openeye Name: 4-[[[2-(3,5-dimethylphenoxy)acetyl]amino]methyl]benzoic acid CAS Name: 4-[[[2-(3,5-dimethylphenoxy)-1-oxoethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-(3,5-dimethylphenoxy)acetyl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-(3,5-dimethylphenoxy)acetyl]amino]methyl]benzoic acid Formula: C18H19NO4 MolecularWeight: 313.34776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(=O)NCC2=CC=C(C=C2)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC(=O)NCC2=CC=C(C=C2)C(=O)O)C

InChI

InChI=1S/C18H19NO4/c1-12-7-13(2)9-16(8-12)23-11-17(20)19-10-14-3-5-15(6-4-14)18(21)22/h3-9H,10-11H2,1-2H3,(H,19,20)(H,21,22)