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

Systemtic Name: 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(1-ethylpiperidin-4-yl)piperidine-4-carboxylic acid Openeye Name: 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(1-ethyl-4-piperidyl)piperidine-4-carboxylic acid CAS Name: 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(1-ethyl-4-piperidinyl)-4-piperidinecarboxylic acid IUPAC Name: 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(1-ethylpiperidin-4-yl)piperidine-4-carboxylic acid Traditional Name: 4-[(2-amidino-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(1-ethyl-4-piperidyl)isonipecotic acid Formula: C24H37N5O3 MolecularWeight: 443.58228

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(CC1)N2CCC(CC2)(COC3=CC4=C(CCN(C4)C(=N)N)C=C3)C(=O)O

Isomeric SMILES

CCN1CCC(CC1)N2CCC(CC2)(COC3=CC4=C(CCN(C4)C(=N)N)C=C3)C(=O)O

InChI

InChI=1S/C24H37N5O3/c1-2-27-10-6-20(7-11-27)28-13-8-24(9-14-28,22(30)31)17-32-21-4-3-18-5-12-29(23(25)26)16-19(18)15-21/h3-4,15,20H,2,5-14,16-17H2,1H3,(H3,25,26)(H,30,31)