1-[(4-cyanophenyl)methyl]-3-methoxycarbonyl-2-oxidanylidene-cyclohexane-1-carboxylic acid

Systemtic Name: 1-[(4-cyanophenyl)methyl]-3-methoxycarbonyl-2-oxidanylidene-cyclohexane-1-carboxylic acid Openeye Name: 1-[(4-cyanophenyl)methyl]-3-methoxycarbonyl-2-oxo-cyclohexanecarboxylic acid CAS Name: 1-[(4-cyanophenyl)methyl]-3-methoxycarbonyl-2-oxo-1-cyclohexanecarboxylic acid IUPAC Name: 1-[(4-cyanophenyl)methyl]-3-methoxycarbonyl-2-oxocyclohexane-1-carboxylic acid Traditional Name: 3-carbomethoxy-1-(4-cyanobenzyl)-2-keto-cyclohexanecarboxylic acid Formula: C17H17NO5 MolecularWeight: 315.32058

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCC(C1=O)(CC2=CC=C(C=C2)C#N)C(=O)O

Isomeric SMILES

COC(=O)C1CCCC(C1=O)(CC2=CC=C(C=C2)C#N)C(=O)O

InChI

InChI=1S/C17H17NO5/c1-23-15(20)13-3-2-8-17(14(13)19,16(21)22)9-11-4-6-12(10-18)7-5-11/h4-7,13H,2-3,8-9H2,1H3,(H,21,22)