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

Systemtic Name: 2-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidin-1-yl]pyridine-3-carboxylic acid Openeye Name: 2-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-piperidyl]pyridine-3-carboxylic acid CAS Name: 2-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-piperidinyl]-3-pyridinecarboxylic acid IUPAC Name: 2-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidin-1-yl]pyridine-3-carboxylic acid Traditional Name: 2-[4-[(2-amidino-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidino]nicotinic acid Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1COC2=CC3=C(CCN(C3)C(=N)N)C=C2)C4=C(C=CC=N4)C(=O)O

Isomeric SMILES

C1CN(CCC1COC2=CC3=C(CCN(C3)C(=N)N)C=C2)C4=C(C=CC=N4)C(=O)O

InChI

InChI=1S/C22H27N5O3/c23-22(24)27-11-7-16-3-4-18(12-17(16)13-27)30-14-15-5-9-26(10-6-15)20-19(21(28)29)2-1-8-25-20/h1-4,8,12,15H,5-7,9-11,13-14H2,(H3,23,24)(H,28,29)