(phenylmethyl) 2-[4-[2-(3-oxidanylidene-1H-2-benzofuran-1-yl)ethanoyl]-1,4-diazepan-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-[2-(3-oxidanylidene-1H-2-benzofuran-1-yl)ethanoyl]-1,4-diazepan-1-yl]ethanoate Openeye Name: benzyl 2-[4-[2-(3-oxo-1H-isobenzofuran-1-yl)acetyl]-1,4-diazepan-1-yl]acetate CAS Name: 2-[4-[1-oxo-2-(3-oxo-1H-isobenzofuran-1-yl)ethyl]-1,4-diazepan-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-[2-(3-oxo-1H-2-benzofuran-1-yl)acetyl]-1,4-diazepan-1-yl]acetate Traditional Name: 2-[4-(2-phthalidylacetyl)-1,4-diazepan-1-yl]acetic acid benzyl ester Formula: C24H26N2O5 MolecularWeight: 422.47364

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CC2C3=CC=CC=C3C(=O)O2)CC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CC2C3=CC=CC=C3C(=O)O2)CC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C24H26N2O5/c27-22(15-21-19-9-4-5-10-20(19)24(29)31-21)26-12-6-11-25(13-14-26)16-23(28)30-17-18-7-2-1-3-8-18/h1-5,7-10,21H,6,11-17H2