[2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-benzamido-2-phenyl-ethanoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-benzamido-2-phenyl-ethanoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-benzamido-2-phenyl-acetate CAS Name: 2-benzamido-2-phenylacetic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-benzamido-2-phenylacetate Traditional Name: 2-benzamido-2-phenyl-acetic 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:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C(C4=CC=CC=C4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C(C4=CC=CC=C4)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H29NO4/c29-23(27-14-18-11-19(15-27)13-20(12-18)16-27)17-32-26(31)24(21-7-3-1-4-8-21)28-25(30)22-9-5-2-6-10-22/h1-10,18-20,24H,11-17H2,(H,28,30)