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

Systemtic Name: 2-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidin-1-yl]-2-pyridin-3-yl-propanoic acid Openeye Name: 2-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-piperidyl]-2-(3-pyridyl)propanoic acid CAS Name: 2-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-piperidinyl]-2-(3-pyridinyl)propanoic acid IUPAC Name: 2-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidin-1-yl]-2-pyridin-3-ylpropanoic acid Traditional Name: 2-[4-[(2-amidino-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidino]-2-(3-pyridyl)propionic acid Formula: C24H31N5O3 MolecularWeight: 437.53464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N5O3/c1-24(22(30)31,20-3-2-9-27-14-20)29-11-6-17(7-12-29)16-32-21-5-4-18-8-10-28(23(25)26)15-19(18)13-21/h2-5,9,13-14,17H,6-8,10-12,15-16H2,1H3,(H3,25,26)(H,30,31)