(3-oxidanylidene-1H-2-benzofuran-1-yl) 2-[1-[4-(4-carbamimidoylphenyl)phenyl]carbonylpiperidin-4-yl]ethanoate

Systemtic Name: (3-oxidanylidene-1H-2-benzofuran-1-yl) 2-[1-[4-(4-carbamimidoylphenyl)phenyl]carbonylpiperidin-4-yl]ethanoate Openeye Name: (3-oxo-1H-isobenzofuran-1-yl) 2-[1-[4-(4-carbamimidoylphenyl)benzoyl]-4-piperidyl]acetate CAS Name: 2-[1-[[4-(4-carbamimidoylphenyl)phenyl]-oxomethyl]-4-piperidinyl]acetic acid (3-oxo-1H-isobenzofuran-1-yl) ester IUPAC Name: (3-oxo-1H-2-benzofuran-1-yl) 2-[1-[4-(4-carbamimidoylphenyl)benzoyl]piperidin-4-yl]acetate Traditional Name: 2-[1-[4-(4-amidinophenyl)benzoyl]-4-piperidyl]acetic acid phthalidyl ester Formula: C29H27N3O5 MolecularWeight: 497.54178

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC(=O)OC2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC=C(C=C4)C5=CC=C(C=C5)C(=N)N

Isomeric SMILES

C1CN(CCC1CC(=O)OC2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC=C(C=C4)C5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C29H27N3O5/c30-26(31)21-9-5-19(6-10-21)20-7-11-22(12-8-20)27(34)32-15-13-18(14-16-32)17-25(33)36-29-24-4-2-1-3-23(24)28(35)37-29/h1-12,18,29H,13-17H2,(H3,30,31)