2-[[(2S)-2-[(2-methylpropan-2-yl)oxymethyl]-3-oxidanyl-3-oxidanylidene-propyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[(2S)-2-[(2-methylpropan-2-yl)oxymethyl]-3-oxidanyl-3-oxidanylidene-propyl]carbamoyl]benzoic acid Openeye Name: 2-[[(2S)-2-(tert-butoxymethyl)-3-hydroxy-3-oxo-propyl]carbamoyl]benzoic acid CAS Name: 2-[[[(2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxymethyl]-3-oxopropyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[(2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxymethyl]-3-oxopropyl]carbamoyl]benzoic acid Traditional Name: 2-[[(2S)-2-(tert-butoxymethyl)-3-hydroxy-3-keto-propyl]carbamoyl]benzoic acid Formula: C16H21NO6 MolecularWeight: 323.34104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OCC(CNC(=O)C1=CC=CC=C1C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)OC[C@H](CNC(=O)C1=CC=CC=C1C(=O)O)C(=O)O

InChI

InChI=1S/C16H21NO6/c1-16(2,3)23-9-10(14(19)20)8-17-13(18)11-6-4-5-7-12(11)15(21)22/h4-7,10H,8-9H2,1-3H3,(H,17,18)(H,19,20)(H,21,22)/t10-/m0/s1