tert-butyl 2-carbamimidoyl-3-[2-[[2-(4-methoxyphenyl)-4-oxidanylidene-butanoyl]amino]ethyl]-2,3-dihydro-1-benzofuran-5-carboxylate

Systemtic Name: tert-butyl 2-carbamimidoyl-3-[2-[[2-(4-methoxyphenyl)-4-oxidanylidene-butanoyl]amino]ethyl]-2,3-dihydro-1-benzofuran-5-carboxylate Openeye Name: tert-butyl 2-carbamimidoyl-3-[2-[[2-(4-methoxyphenyl)-4-oxo-butanoyl]amino]ethyl]-2,3-dihydrobenzofuran-5-carboxylate CAS Name: 2-carbamimidoyl-3-[2-[[2-(4-methoxyphenyl)-1,4-dioxobutyl]amino]ethyl]-2,3-dihydrobenzofuran-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-carbamimidoyl-3-[2-[[2-(4-methoxyphenyl)-4-oxobutanoyl]amino]ethyl]-2,3-dihydro-1-benzofuran-5-carboxylate Traditional Name: 2-amidino-3-[2-[[4-keto-2-(4-methoxyphenyl)butanoyl]amino]ethyl]coumaran-5-carboxylic acid tert-butyl ester Formula: C27H33N3O6 MolecularWeight: 495.56742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O6/c1-27(2,3)36-26(33)17-7-10-22-21(15-17)20(23(35-22)24(28)29)11-13-30-25(32)19(12-14-31)16-5-8-18(34-4)9-6-16/h5-10,14-15,19-20,23H,11-13H2,1-4H3,(H3,28,29)(H,30,32)