tert-butyl 2-carbamimidoyl-3-[2-[(4-phenoxyphenyl)carbonylamino]ethyl]-2,3-dihydro-1-benzofuran-5-carboxylate

Systemtic Name: tert-butyl 2-carbamimidoyl-3-[2-[(4-phenoxyphenyl)carbonylamino]ethyl]-2,3-dihydro-1-benzofuran-5-carboxylate Openeye Name: tert-butyl 2-carbamimidoyl-3-[2-[(4-phenoxybenzoyl)amino]ethyl]-2,3-dihydrobenzofuran-5-carboxylate CAS Name: 2-carbamimidoyl-3-[2-[[oxo-(4-phenoxyphenyl)methyl]amino]ethyl]-2,3-dihydrobenzofuran-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-carbamimidoyl-3-[2-[(4-phenoxybenzoyl)amino]ethyl]-2,3-dihydro-1-benzofuran-5-carboxylate Traditional Name: 2-amidino-3-[2-[(4-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=C(C=C3)OC4=CC=CC=C4)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC2=C(C=C1)OC(C2CCNC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)C(=N)N

InChI

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