5-azanyl-2-[[(3S)-3-methyl-2-oxidanylidene-piperidin-3-yl]carbamoyl]benzoic acid

Systemtic Name: 5-azanyl-2-[[(3S)-3-methyl-2-oxidanylidene-piperidin-3-yl]carbamoyl]benzoic acid Openeye Name: 5-amino-2-[[(3S)-3-methyl-2-oxo-3-piperidyl]carbamoyl]benzoic acid CAS Name: 5-amino-2-[[[(3S)-3-methyl-2-oxo-3-piperidinyl]amino]-oxomethyl]benzoic acid IUPAC Name: 5-amino-2-[[(3S)-3-methyl-2-oxopiperidin-3-yl]carbamoyl]benzoic acid Traditional Name: 5-amino-2-[[(3S)-2-keto-3-methyl-3-piperidyl]carbamoyl]benzoic acid Formula: C14H17N3O4 MolecularWeight: 291.30248

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCNC1=O)NC(=O)C2=C(C=C(C=C2)N)C(=O)O

Isomeric SMILES

C[C@@]1(CCCNC1=O)NC(=O)C2=C(C=C(C=C2)N)C(=O)O

InChI

InChI=1S/C14H17N3O4/c1-14(5-2-6-16-13(14)21)17-11(18)9-4-3-8(15)7-10(9)12(19)20/h3-4,7H,2,5-6,15H2,1H3,(H,16,21)(H,17,18)(H,19,20)/t14-/m0/s1