tert-butyl 2-carbamimidoyl-3-[2-[[4-(diethylamino)phenyl]carbonylamino]ethyl]-2,3-dihydro-1-benzofuran-5-carboxylate

Systemtic Name: tert-butyl 2-carbamimidoyl-3-[2-[[4-(diethylamino)phenyl]carbonylamino]ethyl]-2,3-dihydro-1-benzofuran-5-carboxylate Openeye Name: tert-butyl 2-carbamimidoyl-3-[2-[[4-(diethylamino)benzoyl]amino]ethyl]-2,3-dihydrobenzofuran-5-carboxylate CAS Name: 2-carbamimidoyl-3-[2-[[[4-(diethylamino)phenyl]-oxomethyl]amino]ethyl]-2,3-dihydrobenzofuran-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-carbamimidoyl-3-[2-[[4-(diethylamino)benzoyl]amino]ethyl]-2,3-dihydro-1-benzofuran-5-carboxylate Traditional Name: 2-amidino-3-[2-[[4-(diethylamino)benzoyl]amino]ethyl]coumaran-5-carboxylic acid tert-butyl ester Formula: C27H36N4O4 MolecularWeight: 480.59914

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(=O)NCCC2C(OC3=C2C=C(C=C3)C(=O)OC(C)(C)C)C(=N)N

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(=O)NCCC2C(OC3=C2C=C(C=C3)C(=O)OC(C)(C)C)C(=N)N

InChI

InChI=1S/C27H36N4O4/c1-6-31(7-2)19-11-8-17(9-12-19)25(32)30-15-14-20-21-16-18(26(33)35-27(3,4)5)10-13-22(21)34-23(20)24(28)29/h8-13,16,20,23H,6-7,14-15H2,1-5H3,(H3,28,29)(H,30,32)