4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(1-methyl-2H-pyridin-6-yl)piperidine-4-carboxylic acid

Systemtic Name: 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(1-methyl-2H-pyridin-6-yl)piperidine-4-carboxylic acid Openeye Name: 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(1-methyl-2H-pyridin-6-yl)piperidine-4-carboxylic acid CAS Name: 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(1-methyl-2H-pyridin-6-yl)-4-piperidinecarboxylic acid IUPAC Name: 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(1-methyl-2H-pyridin-6-yl)piperidine-4-carboxylic acid Traditional Name: 4-[(2-amidino-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(1-methyl-2H-pyridin-6-yl)isonipecotic acid Formula: C23H31N5O3 MolecularWeight: 425.52394

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC=CC=C1N2CCC(CC2)(COC3=CC4=C(CCN(C4)C(=N)N)C=C3)C(=O)O

Isomeric SMILES

CN1CC=CC=C1N2CCC(CC2)(COC3=CC4=C(CCN(C4)C(=N)N)C=C3)C(=O)O

InChI

InChI=1S/C23H31N5O3/c1-26-10-3-2-4-20(26)27-12-8-23(9-13-27,21(29)30)16-31-19-6-5-17-7-11-28(22(24)25)15-18(17)14-19/h2-6,14H,7-13,15-16H2,1H3,(H3,24,25)(H,29,30)