ethyl 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(2,6-dimethylpyridin-4-yl)piperidine-4-carboxylate

Systemtic Name: ethyl 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(2,6-dimethylpyridin-4-yl)piperidine-4-carboxylate Openeye Name: ethyl 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(2,6-dimethyl-4-pyridyl)piperidine-4-carboxylate CAS Name: 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(2,6-dimethyl-4-pyridinyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(2,6-dimethylpyridin-4-yl)piperidine-4-carboxylate Traditional Name: 4-[(2-amidino-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(2,6-dimethyl-4-pyridyl)isonipecotic acid ethyl ester Formula: C26H35N5O3 MolecularWeight: 465.5878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35N5O3/c1-4-33-24(32)26(8-11-30(12-9-26)22-13-18(2)29-19(3)14-22)17-34-23-6-5-20-7-10-31(25(27)28)16-21(20)15-23/h5-6,13-15H,4,7-12,16-17H2,1-3H3,(H3,27,28)