4-[[(4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl)amino]methyl]benzoic acid

Systemtic Name: 4-[[(4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl)amino]methyl]benzoic acid Openeye Name: 4-[[(1-carboxy-3-methyl-butyl)amino]methyl]benzoic acid CAS Name: 4-[[(1-hydroxy-4-methyl-1-oxopentan-2-yl)amino]methyl]benzoic acid IUPAC Name: 4-[[(1-hydroxy-4-methyl-1-oxopentan-2-yl)amino]methyl]benzoic acid Traditional Name: 4-[[(1-carboxy-3-methyl-butyl)amino]methyl]benzoic acid Formula: C14H19NO4 MolecularWeight: 265.30496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO4/c1-9(2)7-12(14(18)19)15-8-10-3-5-11(6-4-10)13(16)17/h3-6,9,12,15H,7-8H2,1-2H3,(H,16,17)(H,18,19)