(phenylmethyl) 7-[[1-(4-carbamimidoylphenyl)-4-ethoxycarbonyl-piperidin-4-yl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: (phenylmethyl) 7-[[1-(4-carbamimidoylphenyl)-4-ethoxycarbonyl-piperidin-4-yl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: benzyl 7-[[1-(4-carbamimidoylphenyl)-4-ethoxycarbonyl-4-piperidyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 7-[[1-(4-carbamimidoylphenyl)-4-ethoxycarbonyl-4-piperidinyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 7-[[1-(4-carbamimidoylphenyl)-4-ethoxycarbonylpiperidin-4-yl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 7-[[1-(4-amidinophenyl)-4-carbethoxy-4-piperidyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid benzyl ester Formula: C33H38N4O5 MolecularWeight: 570.67862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C2=CC=C(C=C2)C(=N)N)COC3=CC4=C(CCN(C4)C(=O)OCC5=CC=CC=C5)C=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C2=CC=C(C=C2)C(=N)N)COC3=CC4=C(CCN(C4)C(=O)OCC5=CC=CC=C5)C=C3

InChI

InChI=1S/C33H38N4O5/c1-2-40-31(38)33(15-18-36(19-16-33)28-11-8-26(9-12-28)30(34)35)23-42-29-13-10-25-14-17-37(21-27(25)20-29)32(39)41-22-24-6-4-3-5-7-24/h3-13,20H,2,14-19,21-23H2,1H3,(H3,34,35)