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

Systemtic Name: tert-butyl 2-carbamimidoyl-3-[2-(2,2-diphenylethanoylamino)ethyl]-2,3-dihydro-1-benzofuran-5-carboxylate Openeye Name: tert-butyl 2-carbamimidoyl-3-[2-[(2,2-diphenylacetyl)amino]ethyl]-2,3-dihydrobenzofuran-5-carboxylate CAS Name: 2-carbamimidoyl-3-[2-[(1-oxo-2,2-diphenylethyl)amino]ethyl]-2,3-dihydrobenzofuran-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-carbamimidoyl-3-[2-[(2,2-diphenylacetyl)amino]ethyl]-2,3-dihydro-1-benzofuran-5-carboxylate Traditional Name: 2-amidino-3-[2-[(2,2-diphenylacetyl)amino]ethyl]coumaran-5-carboxylic acid tert-butyl ester Formula: C30H33N3O4 MolecularWeight: 499.60072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H33N3O4/c1-30(2,3)37-29(35)21-14-15-24-23(18-21)22(26(36-24)27(31)32)16-17-33-28(34)25(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15,18,22,25-26H,16-17H2,1-3H3,(H3,31,32)(H,33,34)