4-[[2-carbamimidoyl-2-(1,2,3,4-tetrahydroisoquinolin-7-yloxymethyl)piperidin-1-yl]methyl]indole-1-carboxylic acid

Systemtic Name: 4-[[2-carbamimidoyl-2-(1,2,3,4-tetrahydroisoquinolin-7-yloxymethyl)piperidin-1-yl]methyl]indole-1-carboxylic acid Openeye Name: 4-[[2-carbamimidoyl-2-(1,2,3,4-tetrahydroisoquinolin-7-yloxymethyl)-1-piperidyl]methyl]indole-1-carboxylic acid CAS Name: 4-[[2-carbamimidoyl-2-(1,2,3,4-tetrahydroisoquinolin-7-yloxymethyl)-1-piperidinyl]methyl]-1-indolecarboxylic acid IUPAC Name: 4-[[2-carbamimidoyl-2-(1,2,3,4-tetrahydroisoquinolin-7-yloxymethyl)piperidin-1-yl]methyl]indole-1-carboxylic acid Traditional Name: 4-[[2-amidino-2-(1,2,3,4-tetrahydroisoquinolin-7-yloxymethyl)piperidino]methyl]indole-1-carboxylic acid Formula: C26H31N5O3 MolecularWeight: 461.55604

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)(COC2=CC3=C(CCNC3)C=C2)C(=N)N)CC4=C5C=CN(C5=CC=C4)C(=O)O

Isomeric SMILES

C1CCN(C(C1)(COC2=CC3=C(CCNC3)C=C2)C(=N)N)CC4=C5C=CN(C5=CC=C4)C(=O)O

InChI

InChI=1S/C26H31N5O3/c27-24(28)26(17-34-21-7-6-18-8-11-29-15-20(18)14-21)10-1-2-12-30(26)16-19-4-3-5-23-22(19)9-13-31(23)25(32)33/h3-7,9,13-14,29H,1-2,8,10-12,15-17H2,(H3,27,28)(H,32,33)