[2-[[3,5-bis(methoxycarbonyl)phenyl]amino]-2-oxidanylidene-ethyl]-cyclooctyl-azanium

Systemtic Name: [2-[[3,5-bis(methoxycarbonyl)phenyl]amino]-2-oxidanylidene-ethyl]-cyclooctyl-azanium Openeye Name: [2-[3,5-bis(methoxycarbonyl)anilino]-2-oxo-ethyl]-cyclooctyl-ammonium CAS Name: [2-[3,5-bis(methoxycarbonyl)anilino]-2-oxoethyl]-cyclooctylammonium IUPAC Name: [2-[3,5-bis(methoxycarbonyl)anilino]-2-oxoethyl]-cyclooctylazanium Traditional Name: cyclooctyl-[2-(3,5-dicarbomethoxyanilino)-2-keto-ethyl]ammonium Formula: C20H29N2O5+ MolecularWeight: 377.45466

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C[NH2+]C2CCCCCCC2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C[NH2+]C2CCCCCCC2)C(=O)OC

InChI

InChI=1S/C20H28N2O5/c1-26-19(24)14-10-15(20(25)27-2)12-17(11-14)22-18(23)13-21-16-8-6-4-3-5-7-9-16/h10-12,16,21H,3-9,13H2,1-2H3,(H,22,23)/p+1