3-[4-(3-methylphenoxy)butanoylamino]benzoic acid

Systemtic Name: 3-[4-(3-methylphenoxy)butanoylamino]benzoic acid Openeye Name: 3-[4-(3-methylphenoxy)butanoylamino]benzoic acid CAS Name: 3-[[4-(3-methylphenoxy)-1-oxobutyl]amino]benzoic acid IUPAC Name: 3-[4-(3-methylphenoxy)butanoylamino]benzoic acid Traditional Name: 3-[4-(3-methylphenoxy)butanoylamino]benzoic acid Formula: C18H19NO4 MolecularWeight: 313.34776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCC(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)OCCCC(=O)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C18H19NO4/c1-13-5-2-8-16(11-13)23-10-4-9-17(20)19-15-7-3-6-14(12-15)18(21)22/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,19,20)(H,21,22)