tert-butyl 2-carbamimidoyl-3-[2-[2-(6-methoxynaphthalen-1-yl)propanoylamino]ethyl]-2,3-dihydro-1-benzofuran-5-carboxylate

Systemtic Name: tert-butyl 2-carbamimidoyl-3-[2-[2-(6-methoxynaphthalen-1-yl)propanoylamino]ethyl]-2,3-dihydro-1-benzofuran-5-carboxylate Openeye Name: tert-butyl 2-carbamimidoyl-3-[2-[2-(6-methoxy-1-naphthyl)propanoylamino]ethyl]-2,3-dihydrobenzofuran-5-carboxylate CAS Name: 2-carbamimidoyl-3-[2-[[2-(6-methoxy-1-naphthalenyl)-1-oxopropyl]amino]ethyl]-2,3-dihydrobenzofuran-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-carbamimidoyl-3-[2-[2-(6-methoxynaphthalen-1-yl)propanoylamino]ethyl]-2,3-dihydro-1-benzofuran-5-carboxylate Traditional Name: 2-amidino-3-[2-[2-(6-methoxy-1-naphthyl)propanoylamino]ethyl]coumaran-5-carboxylic acid tert-butyl ester Formula: C30H35N3O5 MolecularWeight: 517.616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=C1C=CC(=C2)OC)C(=O)NCCC3C(OC4=C3C=C(C=C4)C(=O)OC(C)(C)C)C(=N)N

Isomeric SMILES

CC(C1=CC=CC2=C1C=CC(=C2)OC)C(=O)NCCC3C(OC4=C3C=C(C=C4)C(=O)OC(C)(C)C)C(=N)N

InChI

InChI=1S/C30H35N3O5/c1-17(21-8-6-7-18-15-20(36-5)10-11-22(18)21)28(34)33-14-13-23-24-16-19(29(35)38-30(2,3)4)9-12-25(24)37-26(23)27(31)32/h6-12,15-17,23,26H,13-14H2,1-5H3,(H3,31,32)(H,33,34)