1-azanyl-2-piperidin-4-ylcarbonyl-1-propanoyl-3,4-dihydroisoquinoline-6-carboxylic acid

Systemtic Name: 1-azanyl-2-piperidin-4-ylcarbonyl-1-propanoyl-3,4-dihydroisoquinoline-6-carboxylic acid Openeye Name: 1-amino-2-(piperidine-4-carbonyl)-1-propanoyl-3,4-dihydroisoquinoline-6-carboxylic acid CAS Name: 1-amino-2-[oxo(4-piperidinyl)methyl]-1-(1-oxopropyl)-3,4-dihydroisoquinoline-6-carboxylic acid IUPAC Name: 1-amino-2-(piperidine-4-carbonyl)-1-propanoyl-3,4-dihydroisoquinoline-6-carboxylic acid Traditional Name: 1-amino-2-isonipecotoyl-1-propionyl-3,4-dihydroisoquinoline-6-carboxylic acid Formula: C19H25N3O4 MolecularWeight: 359.4195

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1(C2=C(CCN1C(=O)C3CCNCC3)C=C(C=C2)C(=O)O)N

Isomeric SMILES

CCC(=O)C1(C2=C(CCN1C(=O)C3CCNCC3)C=C(C=C2)C(=O)O)N

InChI

InChI=1S/C19H25N3O4/c1-2-16(23)19(20)15-4-3-14(18(25)26)11-13(15)7-10-22(19)17(24)12-5-8-21-9-6-12/h3-4,11-12,21H,2,5-10,20H2,1H3,(H,25,26)