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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1COC2=CC3=C(CCN(C3)C(=N)N)C=C2)CC4=CC5=CC=CC=C5N4C(=O)O

Isomeric SMILES

C1CN(CCC1COC2=CC3=C(CCN(C3)C(=N)N)C=C2)CC4=CC5=CC=CC=C5N4C(=O)O

InChI

InChI=1S/C26H31N5O3/c27-25(28)30-12-9-19-5-6-23(14-21(19)15-30)34-17-18-7-10-29(11-8-18)16-22-13-20-3-1-2-4-24(20)31(22)26(32)33/h1-6,13-14,18H,7-12,15-17H2,(H3,27,28)(H,32,33)