4-[[(3R,4R)-4-carboxylato-3-methyl-heptanoyl]amino]benzoate

Systemtic Name: 4-[[(3R,4R)-4-carboxylato-3-methyl-heptanoyl]amino]benzoate Openeye Name: 4-[[(3R,4R)-4-carboxylato-3-methyl-heptanoyl]amino]benzoate CAS Name: 4-[[(3R,4R)-4-carboxylato-3-methyl-1-oxoheptyl]amino]benzoate IUPAC Name: 4-[[(3R,4R)-4-carboxylato-3-methylheptanoyl]amino]benzoate Traditional Name: 4-[[(3R,4R)-4-carboxylato-3-methyl-heptanoyl]amino]benzoate Formula: C16H19NO5-2 MolecularWeight: 305.32576

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C)CC(=O)NC1=CC=C(C=C1)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO5/c1-3-4-13(16(21)22)10(2)9-14(18)17-12-7-5-11(6-8-12)15(19)20/h5-8,10,13H,3-4,9H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/p-2/t10-,13-/m1/s1