2-[3-(2,2-dimethylpropanoyloxymethoxycarbonyl)-2-oxidanylidene-cyclohepta[b]pyrrol-1-yl]ethanoic acid

Systemtic Name: 2-[3-(2,2-dimethylpropanoyloxymethoxycarbonyl)-2-oxidanylidene-cyclohepta[b]pyrrol-1-yl]ethanoic acid Openeye Name: 2-[3-(2,2-dimethylpropanoyloxymethoxycarbonyl)-2-oxo-cyclohepta[b]pyrrol-1-yl]acetic acid CAS Name: 2-[3-[(2,2-dimethyl-1-oxopropoxy)methoxy-oxomethyl]-2-oxo-1-cyclohepta[b]pyrrolyl]acetic acid IUPAC Name: 2-[3-(2,2-dimethylpropanoyloxymethoxycarbonyl)-2-oxocyclohepta[b]pyrrol-1-yl]acetic acid Traditional Name: 2-[2-keto-3-(pivaloyloxymethoxycarbonyl)cyclohepta[b]pyrrol-1-yl]acetic acid Formula: C18H19NO7 MolecularWeight: 361.34596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCOC(=O)C1=C2C=CC=CC=C2N(C1=O)CC(=O)O

Isomeric SMILES

CC(C)(C)C(=O)OCOC(=O)C1=C2C=CC=CC=C2N(C1=O)CC(=O)O

InChI

InChI=1S/C18H19NO7/c1-18(2,3)17(24)26-10-25-16(23)14-11-7-5-4-6-8-12(11)19(15(14)22)9-13(20)21/h4-8H,9-10H2,1-3H3,(H,20,21)