methyl 4-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidin-1-yl]pyridine-3-carboxylate

Systemtic Name: methyl 4-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidin-1-yl]pyridine-3-carboxylate Openeye Name: methyl 4-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-piperidyl]pyridine-3-carboxylate CAS Name: 4-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-piperidinyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidin-1-yl]pyridine-3-carboxylate Traditional Name: 4-[4-[(2-amidino-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidino]nicotinic acid methyl ester Formula: C23H29N5O3 MolecularWeight: 423.50806

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CN=C1)N2CCC(CC2)COC3=CC4=C(CCN(C4)C(=N)N)C=C3

Isomeric SMILES

COC(=O)C1=C(C=CN=C1)N2CCC(CC2)COC3=CC4=C(CCN(C4)C(=N)N)C=C3

InChI

InChI=1S/C23H29N5O3/c1-30-22(29)20-13-26-8-4-21(20)27-9-5-16(6-10-27)15-31-19-3-2-17-7-11-28(23(24)25)14-18(17)12-19/h2-4,8,12-13,16H,5-7,9-11,14-15H2,1H3,(H3,24,25)