tert-butyl 2-carbamimidoyl-3-[2-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]ethyl]-2,3-dihydro-1-benzofuran-5-carboxylate

Systemtic Name: tert-butyl 2-carbamimidoyl-3-[2-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]ethyl]-2,3-dihydro-1-benzofuran-5-carboxylate Openeye Name: tert-butyl 2-carbamimidoyl-3-[2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]ethyl]-2,3-dihydrobenzofuran-5-carboxylate CAS Name: 2-carbamimidoyl-3-[2-[[1-oxo-2-(4-oxo-3H-phthalazin-1-yl)ethyl]amino]ethyl]-2,3-dihydrobenzofuran-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-carbamimidoyl-3-[2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]ethyl]-2,3-dihydro-1-benzofuran-5-carboxylate Traditional Name: 2-amidino-3-[2-[[2-(4-keto-3H-phthalazin-1-yl)acetyl]amino]ethyl]coumaran-5-carboxylic acid tert-butyl ester Formula: C26H29N5O5 MolecularWeight: 491.53896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC2=C(C=C1)OC(C2CCNC(=O)CC3=NNC(=O)C4=CC=CC=C43)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC2=C(C=C1)OC(C2CCNC(=O)CC3=NNC(=O)C4=CC=CC=C43)C(=N)N

InChI

InChI=1S/C26H29N5O5/c1-26(2,3)36-25(34)14-8-9-20-18(12-14)16(22(35-20)23(27)28)10-11-29-21(32)13-19-15-6-4-5-7-17(15)24(33)31-30-19/h4-9,12,16,22H,10-11,13H2,1-3H3,(H3,27,28)(H,29,32)(H,31,33)