4-[[(4R,5R)-5-carboxylato-4-methyl-decanoyl]amino]benzoate

Systemtic Name: 4-[[(4R,5R)-5-carboxylato-4-methyl-decanoyl]amino]benzoate Openeye Name: 4-[[(4R,5R)-5-carboxylato-4-methyl-decanoyl]amino]benzoate CAS Name: 4-[[(4R,5R)-5-carboxylato-4-methyl-1-oxodecyl]amino]benzoate IUPAC Name: 4-[[(4R,5R)-5-carboxylato-4-methyldecanoyl]amino]benzoate Traditional Name: 4-[[(4R,5R)-5-carboxylato-4-methyl-decanoyl]amino]benzoate Formula: C19H25NO5-2 MolecularWeight: 347.4055

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(C)CCC(=O)NC1=CC=C(C=C1)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCC[C@H]([C@H](C)CCC(=O)NC1=CC=C(C=C1)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C19H27NO5/c1-3-4-5-6-16(19(24)25)13(2)7-12-17(21)20-15-10-8-14(9-11-15)18(22)23/h8-11,13,16H,3-7,12H2,1-2H3,(H,20,21)(H,22,23)(H,24,25)/p-2/t13-,16-/m1/s1