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

Systemtic Name: 4-[4-(3-methylphenoxy)butanoylamino]benzoic acid Openeye Name: 4-[4-(3-methylphenoxy)butanoylamino]benzoic acid CAS Name: 4-[[4-(3-methylphenoxy)-1-oxobutyl]amino]benzoic acid IUPAC Name: 4-[4-(3-methylphenoxy)butanoylamino]benzoic acid Traditional Name: 4-[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=C(C=C2)C(=O)O

Isomeric SMILES

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

InChI

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