4-(4-ethoxy-1,3-dimethyl-8-oxidanylidene-cyclohepta[c]pyrrol-2-yl)benzoic acid

Systemtic Name: 4-(4-ethoxy-1,3-dimethyl-8-oxidanylidene-cyclohepta[c]pyrrol-2-yl)benzoic acid Openeye Name: 4-(4-ethoxy-1,3-dimethyl-8-oxo-cyclohepta[c]pyrrol-2-yl)benzoic acid CAS Name: 4-(4-ethoxy-1,3-dimethyl-8-oxo-2-cyclohepta[c]pyrrolyl)benzoic acid IUPAC Name: 4-(4-ethoxy-1,3-dimethyl-8-oxocyclohepta[c]pyrrol-2-yl)benzoic acid Traditional Name: 4-(4-ethoxy-8-keto-1,3-dimethyl-cyclohepta[c]pyrrol-2-yl)benzoic acid Formula: C20H19NO4 MolecularWeight: 337.36916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=O)C2=C(N(C(=C12)C)C3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

CCOC1=CC=CC(=O)C2=C(N(C(=C12)C)C3=CC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C20H19NO4/c1-4-25-17-7-5-6-16(22)18-12(2)21(13(3)19(17)18)15-10-8-14(9-11-15)20(23)24/h5-11H,4H2,1-3H3,(H,23,24)