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

Systemtic Name: tert-butyl 2-carbamimidoyl-3-[2-[(2-phenylazanylphenyl)carbonylamino]ethyl]-2,3-dihydro-1-benzofuran-5-carboxylate Openeye Name: tert-butyl 3-[2-[(2-anilinobenzoyl)amino]ethyl]-2-carbamimidoyl-2,3-dihydrobenzofuran-5-carboxylate CAS Name: 3-[2-[[(2-anilinophenyl)-oxomethyl]amino]ethyl]-2-carbamimidoyl-2,3-dihydrobenzofuran-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-[(2-anilinobenzoyl)amino]ethyl]-2-carbamimidoyl-2,3-dihydro-1-benzofuran-5-carboxylate Traditional Name: 2-amidino-3-[2-[(2-anilinobenzoyl)amino]ethyl]coumaran-5-carboxylic acid tert-butyl ester Formula: C29H32N4O4 MolecularWeight: 500.58878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC2=C(C=C1)OC(C2CCNC(=O)C3=CC=CC=C3NC4=CC=CC=C4)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC2=C(C=C1)OC(C2CCNC(=O)C3=CC=CC=C3NC4=CC=CC=C4)C(=N)N

InChI

InChI=1S/C29H32N4O4/c1-29(2,3)37-28(35)18-13-14-24-22(17-18)20(25(36-24)26(30)31)15-16-32-27(34)21-11-7-8-12-23(21)33-19-9-5-4-6-10-19/h4-14,17,20,25,33H,15-16H2,1-3H3,(H3,30,31)(H,32,34)