4-[2-[di(propan-2-yl)amino]-2-oxidanylidene-ethanoyl]benzoate; (2S)-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: 4-[2-[di(propan-2-yl)amino]-2-oxidanylidene-ethanoyl]benzoate; (2S)-pyrrolidin-1-ium-2-carboxamide Openeye Name: 4-[2-(diisopropylamino)-2-oxo-acetyl]benzoate; (2S)-pyrrolidin-1-ium-2-carboxamide CAS Name: 4-[2-[di(propan-2-yl)amino]-1,2-dioxoethyl]benzoate; (2S)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: 4-[2-[di(propan-2-yl)amino]-2-oxoacetyl]benzoate; (2S)-pyrrolidin-1-ium-2-carboxamide Traditional Name: 4-[2-(diisopropylamino)-2-keto-acetyl]benzoate; (2S)-pyrrolidin-1-ium-2-carboxamide Formula: C20H29N3O5 MolecularWeight: 391.46136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)C(=O)C1=CC=C(C=C1)C(=O)[O-].C1CC([NH2+]C1)C(=O)N

Isomeric SMILES

CC(C)N(C(C)C)C(=O)C(=O)C1=CC=C(C=C1)C(=O)[O-].C1C[C@H]([NH2+]C1)C(=O)N

InChI

InChI=1S/C15H19NO4.C5H10N2O/c1-9(2)16(10(3)4)14(18)13(17)11-5-7-12(8-6-11)15(19)20;6-5(8)4-2-1-3-7-4/h5-10H,1-4H3,(H,19,20);4,7H,1-3H2,(H2,6,8)/t;4-/m.0/s1