tert-butyl 2-carbamimidoyl-3-[2-[[(E)-3-pyridin-4-ylprop-2-enoyl]amino]ethyl]-2,3-dihydro-1-benzofuran-5-carboxylate

Systemtic Name: tert-butyl 2-carbamimidoyl-3-[2-[[(E)-3-pyridin-4-ylprop-2-enoyl]amino]ethyl]-2,3-dihydro-1-benzofuran-5-carboxylate Openeye Name: tert-butyl 2-carbamimidoyl-3-[2-[[(E)-3-(4-pyridyl)prop-2-enoyl]amino]ethyl]-2,3-dihydrobenzofuran-5-carboxylate CAS Name: 2-carbamimidoyl-3-[2-[[(E)-1-oxo-3-pyridin-4-ylprop-2-enyl]amino]ethyl]-2,3-dihydrobenzofuran-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-carbamimidoyl-3-[2-[[(E)-3-pyridin-4-ylprop-2-enoyl]amino]ethyl]-2,3-dihydro-1-benzofuran-5-carboxylate Traditional Name: 2-amidino-3-[2-[[(E)-3-(4-pyridyl)acryloyl]amino]ethyl]coumaran-5-carboxylic acid tert-butyl ester Formula: C24H28N4O4 MolecularWeight: 436.50352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC2=C(C=C1)OC(C2CCNC(=O)C=CC3=CC=NC=C3)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC2=C(C=C1)OC(C2CCNC(=O)/C=C/C3=CC=NC=C3)C(=N)N

InChI

InChI=1S/C24H28N4O4/c1-24(2,3)32-23(30)16-5-6-19-18(14-16)17(21(31-19)22(25)26)10-13-28-20(29)7-4-15-8-11-27-12-9-15/h4-9,11-12,14,17,21H,10,13H2,1-3H3,(H3,25,26)(H,28,29)/b7-4+