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

Systemtic Name: tert-butyl 2-carbamimidoyl-3-[2-[[4-(4-propylphenyl)phenyl]carbonylamino]ethyl]-2,3-dihydro-1-benzofuran-5-carboxylate Openeye Name: tert-butyl 2-carbamimidoyl-3-[2-[[4-(4-propylphenyl)benzoyl]amino]ethyl]-2,3-dihydrobenzofuran-5-carboxylate CAS Name: 2-carbamimidoyl-3-[2-[[oxo-[4-(4-propylphenyl)phenyl]methyl]amino]ethyl]-2,3-dihydrobenzofuran-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-carbamimidoyl-3-[2-[[4-(4-propylphenyl)benzoyl]amino]ethyl]-2,3-dihydro-1-benzofuran-5-carboxylate Traditional Name: 2-amidino-3-[2-[[4-(4-propylphenyl)benzoyl]amino]ethyl]coumaran-5-carboxylic acid tert-butyl ester Formula: C32H37N3O4 MolecularWeight: 527.65388

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NCCC3C(OC4=C3C=C(C=C4)C(=O)OC(C)(C)C)C(=N)N

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NCCC3C(OC4=C3C=C(C=C4)C(=O)OC(C)(C)C)C(=N)N

InChI

InChI=1S/C32H37N3O4/c1-5-6-20-7-9-21(10-8-20)22-11-13-23(14-12-22)30(36)35-18-17-25-26-19-24(31(37)39-32(2,3)4)15-16-27(26)38-28(25)29(33)34/h7-16,19,25,28H,5-6,17-18H2,1-4H3,(H3,33,34)(H,35,36)