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

Systemtic Name: tert-butyl N-[5-(1-benzofuran-3-yl)-5-carbamimidoyl-6-ethyl-6-phenoxy-cyclohexa-1,3-dien-1-yl]carbonylcarbamate Openeye Name: tert-butyl N-[5-(benzofuran-3-yl)-5-carbamimidoyl-6-ethyl-6-phenoxy-cyclohexa-1,3-diene-1-carbonyl]carbamate CAS Name: N-[[5-(3-benzofuranyl)-5-carbamimidoyl-6-ethyl-6-phenoxy-1-cyclohexa-1,3-dienyl]-oxomethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-(1-benzofuran-3-yl)-5-carbamimidoyl-6-ethyl-6-phenoxycyclohexa-1,3-diene-1-carbonyl]carbamate Traditional Name: N-[5-amidino-5-(benzofuran-3-yl)-6-ethyl-6-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(=CC=CC1(C2=COC3=CC=CC=C32)C(=N)N)C(=O)NC(=O)OC(C)(C)C)OC4=CC=CC=C4

Isomeric SMILES

CCC1(C(=CC=CC1(C2=COC3=CC=CC=C32)C(=N)N)C(=O)NC(=O)OC(C)(C)C)OC4=CC=CC=C4

InChI

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