tert-butyl 2-carbamimidoyl-3-[2-[[2-(4-cyanophenoxy)-2-methyl-propanoyl]amino]ethyl]-2,3-dihydro-1-benzofuran-5-carboxylate

Systemtic Name: tert-butyl 2-carbamimidoyl-3-[2-[[2-(4-cyanophenoxy)-2-methyl-propanoyl]amino]ethyl]-2,3-dihydro-1-benzofuran-5-carboxylate Openeye Name: tert-butyl 2-carbamimidoyl-3-[2-[[2-(4-cyanophenoxy)-2-methyl-propanoyl]amino]ethyl]-2,3-dihydrobenzofuran-5-carboxylate CAS Name: 2-carbamimidoyl-3-[2-[[2-(4-cyanophenoxy)-2-methyl-1-oxopropyl]amino]ethyl]-2,3-dihydrobenzofuran-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-carbamimidoyl-3-[2-[[2-(4-cyanophenoxy)-2-methylpropanoyl]amino]ethyl]-2,3-dihydro-1-benzofuran-5-carboxylate Traditional Name: 2-amidino-3-[2-[[2-(4-cyanophenoxy)-2-methyl-propanoyl]amino]ethyl]coumaran-5-carboxylic acid tert-butyl ester Formula: C27H32N4O5 MolecularWeight: 492.56678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC2=C(C=C1)OC(C2CCNC(=O)C(C)(C)OC3=CC=C(C=C3)C#N)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC2=C(C=C1)OC(C2CCNC(=O)C(C)(C)OC3=CC=C(C=C3)C#N)C(=N)N

InChI

InChI=1S/C27H32N4O5/c1-26(2,3)36-24(32)17-8-11-21-20(14-17)19(22(34-21)23(29)30)12-13-31-25(33)27(4,5)35-18-9-6-16(15-28)7-10-18/h6-11,14,19,22H,12-13H2,1-5H3,(H3,29,30)(H,31,33)