1-[6-oxidanylidene-6-(2-phenylmethoxycarbonylpyrrol-1-yl)hexanoyl]pyrrole-2-carboxylic acid

Systemtic Name: 1-[6-oxidanylidene-6-(2-phenylmethoxycarbonylpyrrol-1-yl)hexanoyl]pyrrole-2-carboxylic acid Openeye Name: 1-[6-(2-benzyloxycarbonylpyrrol-1-yl)-6-oxo-hexanoyl]pyrrole-2-carboxylic acid CAS Name: 1-[1,6-dioxo-6-(2-phenylmethoxycarbonyl-1-pyrrolyl)hexyl]-2-pyrrolecarboxylic acid IUPAC Name: 1-[6-oxo-6-(2-phenylmethoxycarbonylpyrrol-1-yl)hexanoyl]pyrrole-2-carboxylic acid Traditional Name: 1-[6-(2-carbobenzoxypyrrol-1-yl)-6-keto-hexanoyl]pyrrole-2-carboxylic acid Formula: C23H22N2O6 MolecularWeight: 422.43058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=CC=CN2C(=O)CCCCC(=O)N3C=CC=C3C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=CC=CN2C(=O)CCCCC(=O)N3C=CC=C3C(=O)O

InChI

InChI=1S/C23H22N2O6/c26-20(24-14-6-10-18(24)22(28)29)12-4-5-13-21(27)25-15-7-11-19(25)23(30)31-16-17-8-2-1-3-9-17/h1-3,6-11,14-15H,4-5,12-13,16H2,(H,28,29)