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

Systemtic Name: tert-butyl 2-carbamimidoyl-3-[2-[(4-phenylmethoxyphenyl)carbonylamino]ethyl]-2,3-dihydro-1-benzofuran-5-carboxylate Openeye Name: tert-butyl 3-[2-[(4-benzyloxybenzoyl)amino]ethyl]-2-carbamimidoyl-2,3-dihydrobenzofuran-5-carboxylate CAS Name: 2-carbamimidoyl-3-[2-[[oxo-(4-phenylmethoxyphenyl)methyl]amino]ethyl]-2,3-dihydrobenzofuran-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-carbamimidoyl-3-[2-[(4-phenylmethoxybenzoyl)amino]ethyl]-2,3-dihydro-1-benzofuran-5-carboxylate Traditional Name: 2-amidino-3-[2-[(4-benzoxybenzoyl)amino]ethyl]coumaran-5-carboxylic acid tert-butyl ester Formula: C30H33N3O5 MolecularWeight: 515.60012

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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)OCC4=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)OCC4=CC=CC=C4)C(=N)N

InChI

InChI=1S/C30H33N3O5/c1-30(2,3)38-29(35)21-11-14-25-24(17-21)23(26(37-25)27(31)32)15-16-33-28(34)20-9-12-22(13-10-20)36-18-19-7-5-4-6-8-19/h4-14,17,23,26H,15-16,18H2,1-3H3,(H3,31,32)(H,33,34)