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

Systemtic Name: tert-butyl N-[6-(1-benzofuran-3-yl)-5-carbamimidoyl-6-ethyl-4-phenoxy-cyclohexa-1,3-dien-1-yl]carbonylcarbamate Openeye Name: tert-butyl N-[6-(benzofuran-3-yl)-5-carbamimidoyl-6-ethyl-4-phenoxy-cyclohexa-1,3-diene-1-carbonyl]carbamate CAS Name: N-[[6-(3-benzofuranyl)-5-carbamimidoyl-6-ethyl-4-phenoxy-1-cyclohexa-1,3-dienyl]-oxomethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[6-(1-benzofuran-3-yl)-5-carbamimidoyl-6-ethyl-4-phenoxycyclohexa-1,3-diene-1-carbonyl]carbamate Traditional Name: N-[5-amidino-6-(benzofuran-3-yl)-6-ethyl-4-phenoxy-cyclohexa-1,3-diene-1-carbonyl]carbamic acid tert-butyl ester Formula: C29H31N3O5 MolecularWeight: 501.57354

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(C(=CC=C1C(=O)NC(=O)OC(C)(C)C)OC2=CC=CC=C2)C(=N)N)C3=COC4=CC=CC=C43

Isomeric SMILES

CCC1(C(C(=CC=C1C(=O)NC(=O)OC(C)(C)C)OC2=CC=CC=C2)C(=N)N)C3=COC4=CC=CC=C43

InChI

InChI=1S/C29H31N3O5/c1-5-29(21-17-35-22-14-10-9-13-19(21)22)20(26(33)32-27(34)37-28(2,3)4)15-16-23(24(29)25(30)31)36-18-11-7-6-8-12-18/h6-17,24H,5H2,1-4H3,(H3,30,31)(H,32,33,34)