tert-butyl N-[6-(1-benzofuran-3-yl)-5-carbamimidoyl-4-(diethylamino)-6-ethyl-cyclohexa-1,3-dien-1-yl]carbonylcarbamate

Systemtic Name: tert-butyl N-[6-(1-benzofuran-3-yl)-5-carbamimidoyl-4-(diethylamino)-6-ethyl-cyclohexa-1,3-dien-1-yl]carbonylcarbamate Openeye Name: tert-butyl N-[6-(benzofuran-3-yl)-5-carbamimidoyl-4-(diethylamino)-6-ethyl-cyclohexa-1,3-diene-1-carbonyl]carbamate CAS Name: N-[[6-(3-benzofuranyl)-5-carbamimidoyl-4-(diethylamino)-6-ethyl-1-cyclohexa-1,3-dienyl]-oxomethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[6-(1-benzofuran-3-yl)-5-carbamimidoyl-4-(diethylamino)-6-ethylcyclohexa-1,3-diene-1-carbonyl]carbamate Traditional Name: N-[5-amidino-6-(benzofuran-3-yl)-4-(diethylamino)-6-ethyl-cyclohexa-1,3-diene-1-carbonyl]carbamic acid tert-butyl ester Formula: C27H36N4O4 MolecularWeight: 480.59914

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(C(=CC=C1C(=O)NC(=O)OC(C)(C)C)N(CC)CC)C(=N)N)C2=COC3=CC=CC=C32

Isomeric SMILES

CCC1(C(C(=CC=C1C(=O)NC(=O)OC(C)(C)C)N(CC)CC)C(=N)N)C2=COC3=CC=CC=C32

InChI

InChI=1S/C27H36N4O4/c1-7-27(19-16-34-21-13-11-10-12-17(19)21)18(24(32)30-25(33)35-26(4,5)6)14-15-20(22(27)23(28)29)31(8-2)9-3/h10-16,22H,7-9H2,1-6H3,(H3,28,29)(H,30,32,33)