4-[(2-methylpropoxycarbonylamino)methyl]benzoic acid

Systemtic Name: 4-[(2-methylpropoxycarbonylamino)methyl]benzoic acid Openeye Name: 4-[(isobutoxycarbonylamino)methyl]benzoic acid CAS Name: 4-[[[2-methylpropoxy(oxo)methyl]amino]methyl]benzoic acid IUPAC Name: 4-[(2-methylpropoxycarbonylamino)methyl]benzoic acid Traditional Name: 4-[(isobutoxycarbonylamino)methyl]benzoic acid Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4/c1-9(2)8-18-13(17)14-7-10-3-5-11(6-4-10)12(15)16/h3-6,9H,7-8H2,1-2H3,(H,14,17)(H,15,16)