3-[[(2S)-butan-2-yl]carbamoylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[[(2S)-butan-2-yl]carbamoylamino]-4-methyl-benzoic acid Openeye Name: 4-methyl-3-[[(1S)-1-methylpropyl]carbamoylamino]benzoic acid CAS Name: 3-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[(2S)-butan-2-yl]carbamoylamino]-4-methylbenzoic acid Traditional Name: 4-methyl-3-[[(1S)-1-methylpropyl]carbamoylamino]benzoic acid Formula: C13H18N2O3 MolecularWeight: 250.29362

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC1=C(C=CC(=C1)C(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O3/c1-4-9(3)14-13(18)15-11-7-10(12(16)17)6-5-8(11)2/h5-7,9H,4H2,1-3H3,(H,16,17)(H2,14,15,18)/t9-/m0/s1