1-azanyl-2-piperidin-4-ylcarbonyl-1-propanoyl-3H-isoindole-5-carboxylic acid

Systemtic Name: 1-azanyl-2-piperidin-4-ylcarbonyl-1-propanoyl-3H-isoindole-5-carboxylic acid Openeye Name: 1-amino-2-(piperidine-4-carbonyl)-1-propanoyl-isoindoline-5-carboxylic acid CAS Name: 1-amino-2-[oxo(4-piperidinyl)methyl]-1-(1-oxopropyl)-3H-isoindole-5-carboxylic acid IUPAC Name: 1-amino-2-(piperidine-4-carbonyl)-1-propanoyl-3H-isoindole-5-carboxylic acid Traditional Name: 1-amino-2-isonipecotoyl-1-propionyl-isoindoline-5-carboxylic acid Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1(C2=C(CN1C(=O)C3CCNCC3)C=C(C=C2)C(=O)O)N

Isomeric SMILES

CCC(=O)C1(C2=C(CN1C(=O)C3CCNCC3)C=C(C=C2)C(=O)O)N

InChI

InChI=1S/C18H23N3O4/c1-2-15(22)18(19)14-4-3-12(17(24)25)9-13(14)10-21(18)16(23)11-5-7-20-8-6-11/h3-4,9,11,20H,2,5-8,10,19H2,1H3,(H,24,25)