[2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethoxy]benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 4-[2-(3-methoxyanilino)-2-oxo-ethoxy]benzoate CAS Name: 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate Traditional Name: 4-[2-keto-2-(m-anisidino)ethoxy]benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C28H31NO6 MolecularWeight: 477.54884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)COC2=CC=C(C=C2)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)COC2=CC=C(C=C2)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H31NO6/c1-33-24-4-2-3-22(12-24)29-26(31)17-34-23-7-5-21(6-8-23)27(32)35-16-25(30)28-13-18-9-19(14-28)11-20(10-18)15-28/h2-8,12,18-20H,9-11,13-17H2,1H3,(H,29,31)