tert-butyl N-[2-(1-benzofuran-3-yl)-3-carbamimidoyl-2-ethyl-6-pyrrol-1-yl-pyridin-3-yl]carbonylcarbamate

Systemtic Name: tert-butyl N-[2-(1-benzofuran-3-yl)-3-carbamimidoyl-2-ethyl-6-pyrrol-1-yl-pyridin-3-yl]carbonylcarbamate Openeye Name: tert-butyl N-[2-(benzofuran-3-yl)-3-carbamimidoyl-2-ethyl-6-pyrrol-1-yl-pyridine-3-carbonyl]carbamate CAS Name: N-[[2-(3-benzofuranyl)-3-carbamimidoyl-2-ethyl-6-(1-pyrrolyl)-3-pyridinyl]-oxomethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-(1-benzofuran-3-yl)-3-carbamimidoyl-2-ethyl-6-pyrrol-1-ylpyridine-3-carbonyl]carbamate Traditional Name: N-[3-amidino-2-(benzofuran-3-yl)-2-ethyl-6-pyrrol-1-yl-nicotinoyl]carbamic acid tert-butyl ester Formula: C26H29N5O4 MolecularWeight: 475.53956

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(C=CC(=N1)N2C=CC=C2)(C(=N)N)C(=O)NC(=O)OC(C)(C)C)C3=COC4=CC=CC=C43

Isomeric SMILES

CCC1(C(C=CC(=N1)N2C=CC=C2)(C(=N)N)C(=O)NC(=O)OC(C)(C)C)C3=COC4=CC=CC=C43

InChI

InChI=1S/C26H29N5O4/c1-5-26(18-16-34-19-11-7-6-10-17(18)19)25(21(27)28,22(32)29-23(33)35-24(2,3)4)13-12-20(30-26)31-14-8-9-15-31/h6-16H,5H2,1-4H3,(H3,27,28)(H,29,32,33)