[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[methyl(phenyl)carbamoyl]benzoate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[methyl(phenyl)carbamoyl]benzoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 2-[methyl(phenyl)carbamoyl]benzoate CAS Name: 2-[(N-methylanilino)-oxomethyl]benzoic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-[methyl(phenyl)carbamoyl]benzoate Traditional Name: 2-[methyl(phenyl)carbamoyl]benzoic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C28H31N3O5 MolecularWeight: 489.56284

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H31N3O5/c1-31(21-7-3-2-4-8-21)25(33)22-9-5-6-10-23(22)26(34)36-17-24(32)29-27(35)30-28-14-18-11-19(15-28)13-20(12-18)16-28/h2-10,18-20H,11-17H2,1H3,(H2,29,30,32,35)