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

Systemtic Name: 4-[(2-carbamimidoyl-6-methoxy-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-pyridin-4-yl-piperidine-4-carboxylic acid Openeye Name: 4-[(2-carbamimidoyl-6-methoxy-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(4-pyridyl)piperidine-4-carboxylic acid CAS Name: 4-[(2-carbamimidoyl-6-methoxy-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-pyridin-4-yl-4-piperidinecarboxylic acid IUPAC Name: 4-[(2-carbamimidoyl-6-methoxy-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-pyridin-4-ylpiperidine-4-carboxylic acid Traditional Name: 4-[(2-amidino-6-methoxy-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(4-pyridyl)isonipecotic acid Formula: C23H29N5O4 MolecularWeight: 439.50746

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=N)N)OCC3(CCN(CC3)C4=CC=NC=C4)C(=O)O

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=N)N)OCC3(CCN(CC3)C4=CC=NC=C4)C(=O)O

InChI

InChI=1S/C23H29N5O4/c1-31-19-12-16-4-9-28(22(24)25)14-17(16)13-20(19)32-15-23(21(29)30)5-10-27(11-6-23)18-2-7-26-8-3-18/h2-3,7-8,12-13H,4-6,9-11,14-15H2,1H3,(H3,24,25)(H,29,30)