tert-butyl 2-carbamimidoyl-3-[2-[(6-pyrrol-1-ylpyridin-3-yl)carbonylamino]ethyl]-2,3-dihydro-1-benzofuran-5-carboxylate

Systemtic Name: tert-butyl 2-carbamimidoyl-3-[2-[(6-pyrrol-1-ylpyridin-3-yl)carbonylamino]ethyl]-2,3-dihydro-1-benzofuran-5-carboxylate Openeye Name: tert-butyl 2-carbamimidoyl-3-[2-[(6-pyrrol-1-ylpyridine-3-carbonyl)amino]ethyl]-2,3-dihydrobenzofuran-5-carboxylate CAS Name: 2-carbamimidoyl-3-[2-[[oxo-[6-(1-pyrrolyl)-3-pyridinyl]methyl]amino]ethyl]-2,3-dihydrobenzofuran-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-carbamimidoyl-3-[2-[(6-pyrrol-1-ylpyridine-3-carbonyl)amino]ethyl]-2,3-dihydro-1-benzofuran-5-carboxylate Traditional Name: 2-amidino-3-[2-[(6-pyrrol-1-ylnicotinoyl)amino]ethyl]coumaran-5-carboxylic acid tert-butyl ester Formula: C26H29N5O4 MolecularWeight: 475.53956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC2=C(C=C1)OC(C2CCNC(=O)C3=CN=C(C=C3)N4C=CC=C4)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC2=C(C=C1)OC(C2CCNC(=O)C3=CN=C(C=C3)N4C=CC=C4)C(=N)N

InChI

InChI=1S/C26H29N5O4/c1-26(2,3)35-25(33)16-6-8-20-19(14-16)18(22(34-20)23(27)28)10-11-29-24(32)17-7-9-21(30-15-17)31-12-4-5-13-31/h4-9,12-15,18,22H,10-11H2,1-3H3,(H3,27,28)(H,29,32)