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

Systemtic Name: tert-butyl 2-carbamimidoyl-3-[2-[(5-methyl-2-phenyl-1,2,3-triazol-4-yl)carbonylamino]ethyl]-2,3-dihydro-1-benzofuran-5-carboxylate Openeye Name: tert-butyl 2-carbamimidoyl-3-[2-[(5-methyl-2-phenyl-triazole-4-carbonyl)amino]ethyl]-2,3-dihydrobenzofuran-5-carboxylate CAS Name: 2-carbamimidoyl-3-[2-[[(5-methyl-2-phenyl-4-triazolyl)-oxomethyl]amino]ethyl]-2,3-dihydrobenzofuran-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-carbamimidoyl-3-[2-[(5-methyl-2-phenyltriazole-4-carbonyl)amino]ethyl]-2,3-dihydro-1-benzofuran-5-carboxylate Traditional Name: 2-amidino-3-[2-[(5-methyl-2-phenyl-triazole-4-carbonyl)amino]ethyl]coumaran-5-carboxylic acid tert-butyl ester Formula: C26H30N6O4 MolecularWeight: 490.5542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)NCCC2C(OC3=C2C=C(C=C3)C(=O)OC(C)(C)C)C(=N)N)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(N=C1C(=O)NCCC2C(OC3=C2C=C(C=C3)C(=O)OC(C)(C)C)C(=N)N)C4=CC=CC=C4

InChI

InChI=1S/C26H30N6O4/c1-15-21(31-32(30-15)17-8-6-5-7-9-17)24(33)29-13-12-18-19-14-16(25(34)36-26(2,3)4)10-11-20(19)35-22(18)23(27)28/h5-11,14,18,22H,12-13H2,1-4H3,(H3,27,28)(H,29,33)