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

Systemtic Name: ethyl 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-pyrimidin-4-yl-piperidine-4-carboxylate Openeye Name: ethyl 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-pyrimidin-4-yl-piperidine-4-carboxylate CAS Name: 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(4-pyrimidinyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-pyrimidin-4-ylpiperidine-4-carboxylate Traditional Name: 4-[(2-amidino-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(4-pyrimidyl)isonipecotic acid ethyl ester Formula: C23H30N6O3 MolecularWeight: 438.5227

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N6O3/c1-2-31-21(30)23(7-11-28(12-8-23)20-5-9-26-16-27-20)15-32-19-4-3-17-6-10-29(22(24)25)14-18(17)13-19/h3-5,9,13,16H,2,6-8,10-12,14-15H2,1H3,(H3,24,25)