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

Systemtic Name: 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(4-carbamimidoylphenyl)piperidine-4-carboxylic acid Openeye Name: 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(4-carbamimidoylphenyl)piperidine-4-carboxylic acid CAS Name: 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(4-carbamimidoylphenyl)-4-piperidinecarboxylic acid IUPAC Name: 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(4-carbamimidoylphenyl)piperidine-4-carboxylic acid Traditional Name: 4-[(2-amidino-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(4-amidinophenyl)isonipecotic acid Formula: C24H30N6O3 MolecularWeight: 450.5334

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)OCC3(CCN(CC3)C4=CC=C(C=C4)C(=N)N)C(=O)O)C(=N)N

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)OCC3(CCN(CC3)C4=CC=C(C=C4)C(=N)N)C(=O)O)C(=N)N

InChI

InChI=1S/C24H30N6O3/c25-21(26)17-1-4-19(5-2-17)29-11-8-24(9-12-29,22(31)32)15-33-20-6-3-16-7-10-30(23(27)28)14-18(16)13-20/h1-6,13H,7-12,14-15H2,(H3,25,26)(H3,27,28)(H,31,32)