4-[(3-ethoxycarbonyl-2,5-dimethyl-pyrrol-1-yl)methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[(3-ethoxycarbonyl-2,5-dimethyl-pyrrol-1-yl)methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[(3-ethoxycarbonyl-2,5-dimethyl-pyrrol-1-yl)methyl]cyclohexanecarboxylic acid CAS Name: 4-[(3-ethoxycarbonyl-2,5-dimethyl-1-pyrrolyl)methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[(3-ethoxycarbonyl-2,5-dimethylpyrrol-1-yl)methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[(3-carbethoxy-2,5-dimethyl-pyrrol-1-yl)methyl]cyclohexanecarboxylic acid Formula: C17H25NO4 MolecularWeight: 307.3847

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C)CC2CCC(CC2)C(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C)CC2CCC(CC2)C(=O)O)C

InChI

InChI=1S/C17H25NO4/c1-4-22-17(21)15-9-11(2)18(12(15)3)10-13-5-7-14(8-6-13)16(19)20/h9,13-14H,4-8,10H2,1-3H3,(H,19,20)