4-[(butanoylamino)methyl]benzoic acid

Systemtic Name: 4-[(butanoylamino)methyl]benzoic acid Openeye Name: 4-[(butanoylamino)methyl]benzoic acid CAS Name: 4-[(1-oxobutylamino)methyl]benzoic acid IUPAC Name: 4-[(butanoylamino)methyl]benzoic acid Traditional Name: 4-(butyramidomethyl)benzoic acid Formula: C12H15NO3 MolecularWeight: 221.2524

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NCC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCCC(=O)NCC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C12H15NO3/c1-2-3-11(14)13-8-9-4-6-10(7-5-9)12(15)16/h4-7H,2-3,8H2,1H3,(H,13,14)(H,15,16)