1-[2-[[3,5-bis(methoxycarbonyl)phenyl]amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[2-[[3,5-bis(methoxycarbonyl)phenyl]amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid Openeye Name: 1-[2-[3,5-bis(methoxycarbonyl)anilino]-2-oxo-ethyl]cycloheptanecarboxylic acid CAS Name: 1-[2-[3,5-bis(methoxycarbonyl)anilino]-2-oxoethyl]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[2-[3,5-bis(methoxycarbonyl)anilino]-2-oxoethyl]cycloheptane-1-carboxylic acid Traditional Name: 1-[2-(3,5-dicarbomethoxyanilino)-2-keto-ethyl]cycloheptanecarboxylic acid Formula: C20H25NO7 MolecularWeight: 391.415

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CC2(CCCCCC2)C(=O)O)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CC2(CCCCCC2)C(=O)O)C(=O)OC

InChI

InChI=1S/C20H25NO7/c1-27-17(23)13-9-14(18(24)28-2)11-15(10-13)21-16(22)12-20(19(25)26)7-5-3-4-6-8-20/h9-11H,3-8,12H2,1-2H3,(H,21,22)(H,25,26)