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

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-[methyl(phenyl)carbamoyl]benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-[methyl(phenyl)carbamoyl]benzoate CAS Name: 2-[(N-methylanilino)-oxomethyl]benzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-[methyl(phenyl)carbamoyl]benzoate Traditional Name: 2-[methyl(phenyl)carbamoyl]benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C27H29NO4 MolecularWeight: 431.52346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H29NO4/c1-28(21-7-3-2-4-8-21)25(30)22-9-5-6-10-23(22)26(31)32-17-24(29)27-14-18-11-19(15-27)13-20(12-18)16-27/h2-10,18-20H,11-17H2,1H3