[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-benzamidopropanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-benzamidopropanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-benzamidopropanoate CAS Name: 2-benzamidopropanoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-benzamidopropanoate Traditional Name: 2-benzamidopropionic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C22H28N2O4 MolecularWeight: 384.46872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)OCC(=O)NC12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H28N2O4/c1-14(23-20(26)18-5-3-2-4-6-18)21(27)28-13-19(25)24-22-10-15-7-16(11-22)9-17(8-15)12-22/h2-6,14-17H,7-13H2,1H3,(H,23,26)(H,24,25)