(phenylmethyl) 6-[(6-carbamimidoylnaphthalen-2-yl)carbonylamino]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: (phenylmethyl) 6-[(6-carbamimidoylnaphthalen-2-yl)carbonylamino]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: benzyl 6-[(6-carbamimidoylnaphthalene-2-carbonyl)amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 6-[[(6-carbamimidoyl-2-naphthalenyl)-oxomethyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-[(6-carbamimidoylnaphthalene-2-carbonyl)amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 6-[(6-amidino-2-naphthoyl)amino]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid benzyl ester Formula: C29H26N4O3 MolecularWeight: 478.54174

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=C(C=C2)NC(=O)C3=CC4=C(C=C3)C=C(C=C4)C(=N)N)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=C1C=C(C=C2)NC(=O)C3=CC4=C(C=C3)C=C(C=C4)C(=N)N)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C29H26N4O3/c30-27(31)23-8-6-21-15-24(9-7-20(21)14-23)28(34)32-26-11-10-25-17-33(13-12-22(25)16-26)29(35)36-18-19-4-2-1-3-5-19/h1-11,14-16H,12-13,17-18H2,(H3,30,31)(H,32,34)