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

Systemtic Name: tert-butyl 6-[(6-carbamimidoylnaphthalen-2-yl)carbonylamino]-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 6-[(6-carbamimidoylnaphthalene-2-carbonyl)amino]-1-isobutyl-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 6-[[(6-carbamimidoyl-2-naphthalenyl)-oxomethyl]amino]-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-[(6-carbamimidoylnaphthalene-2-carbonyl)amino]-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 6-[(6-amidino-2-naphthoyl)amino]-1-isobutyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C30H36N4O3 MolecularWeight: 500.63184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C2=C(CCN1C(=O)OC(C)(C)C)C=C(C=C2)NC(=O)C3=CC4=C(C=C3)C=C(C=C4)C(=N)N

Isomeric SMILES

CC(C)CC1C2=C(CCN1C(=O)OC(C)(C)C)C=C(C=C2)NC(=O)C3=CC4=C(C=C3)C=C(C=C4)C(=N)N

InChI

InChI=1S/C30H36N4O3/c1-18(2)14-26-25-11-10-24(17-21(25)12-13-34(26)29(36)37-30(3,4)5)33-28(35)23-9-7-19-15-22(27(31)32)8-6-20(19)16-23/h6-11,15-18,26H,12-14H2,1-5H3,(H3,31,32)(H,33,35)