4-[(2-azanyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(6-azanylpyridin-3-yl)carbonyl-piperidine-4-carboxylic acid

Systemtic Name: 4-[(2-azanyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(6-azanylpyridin-3-yl)carbonyl-piperidine-4-carboxylic acid Openeye Name: 4-[(2-amino-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(6-aminopyridine-3-carbonyl)piperidine-4-carboxylic acid CAS Name: 4-[(2-amino-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-[(6-amino-3-pyridinyl)-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 4-[(2-amino-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(6-aminopyridine-3-carbonyl)piperidine-4-carboxylic acid Traditional Name: 4-[(2-amino-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(6-aminonicotinoyl)isonipecotic acid Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)OCC3(CCN(CC3)C(=O)C4=CN=C(C=C4)N)C(=O)O)N

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)OCC3(CCN(CC3)C(=O)C4=CN=C(C=C4)N)C(=O)O)N

InChI

InChI=1S/C22H27N5O4/c23-19-4-2-16(12-25-19)20(28)26-9-6-22(7-10-26,21(29)30)14-31-18-3-1-15-5-8-27(24)13-17(15)11-18/h1-4,11-12H,5-10,13-14,24H2,(H2,23,25)(H,29,30)