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

Systemtic Name: tert-butyl 2-carbamimidoyl-3-[2-[(2-phenoxyphenyl)carbonylamino]ethyl]-2,3-dihydro-1-benzofuran-5-carboxylate Openeye Name: tert-butyl 2-carbamimidoyl-3-[2-[(2-phenoxybenzoyl)amino]ethyl]-2,3-dihydrobenzofuran-5-carboxylate CAS Name: 2-carbamimidoyl-3-[2-[[oxo-(2-phenoxyphenyl)methyl]amino]ethyl]-2,3-dihydrobenzofuran-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-carbamimidoyl-3-[2-[(2-phenoxybenzoyl)amino]ethyl]-2,3-dihydro-1-benzofuran-5-carboxylate Traditional Name: 2-amidino-3-[2-[(2-phenoxybenzoyl)amino]ethyl]coumaran-5-carboxylic acid tert-butyl ester Formula: C29H31N3O5 MolecularWeight: 501.57354

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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=C3OC4=CC=CC=C4)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC2=C(C=C1)OC(C2CCNC(=O)C3=CC=CC=C3OC4=CC=CC=C4)C(=N)N

InChI

InChI=1S/C29H31N3O5/c1-29(2,3)37-28(34)18-13-14-24-22(17-18)20(25(36-24)26(30)31)15-16-32-27(33)21-11-7-8-12-23(21)35-19-9-5-4-6-10-19/h4-14,17,20,25H,15-16H2,1-3H3,(H3,30,31)(H,32,33)