ethyl 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(2-methylpyridin-4-yl)piperidine-4-carboxylate

Systemtic Name: ethyl 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(2-methylpyridin-4-yl)piperidine-4-carboxylate Openeye Name: ethyl 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(2-methyl-4-pyridyl)piperidine-4-carboxylate CAS Name: 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(2-methyl-4-pyridinyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(2-methylpyridin-4-yl)piperidine-4-carboxylate Traditional Name: 4-[(2-amidino-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(2-methyl-4-pyridyl)isonipecotic acid ethyl ester Formula: C25H33N5O3 MolecularWeight: 451.56122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C2=CC(=NC=C2)C)COC3=CC4=C(CCN(C4)C(=N)N)C=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C2=CC(=NC=C2)C)COC3=CC4=C(CCN(C4)C(=N)N)C=C3

InChI

InChI=1S/C25H33N5O3/c1-3-32-23(31)25(8-12-29(13-9-25)21-6-10-28-18(2)14-21)17-33-22-5-4-19-7-11-30(24(26)27)16-20(19)15-22/h4-6,10,14-15H,3,7-9,11-13,16-17H2,1-2H3,(H3,26,27)