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

Systemtic Name: methyl 2-[[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidin-1-yl]methyl]indole-1-carboxylate Openeye Name: methyl 2-[[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-piperidyl]methyl]indole-1-carboxylate CAS Name: 2-[[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-piperidinyl]methyl]-1-indolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidin-1-yl]methyl]indole-1-carboxylate Traditional Name: 2-[[4-[(2-amidino-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidino]methyl]indole-1-carboxylic acid methyl ester Formula: C27H33N5O3 MolecularWeight: 475.58262

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1C2=CC=CC=C2C=C1CN3CCC(CC3)COC4=CC5=C(CCN(C5)C(=N)N)C=C4

Isomeric SMILES

COC(=O)N1C2=CC=CC=C2C=C1CN3CCC(CC3)COC4=CC5=C(CCN(C5)C(=N)N)C=C4

InChI

InChI=1S/C27H33N5O3/c1-34-27(33)32-23(14-21-4-2-3-5-25(21)32)17-30-11-8-19(9-12-30)18-35-24-7-6-20-10-13-31(26(28)29)16-22(20)15-24/h2-7,14-15,19H,8-13,16-18H2,1H3,(H3,28,29)