[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxidanylidene-ethyl] 4-phenylbenzoate

Systemtic Name: [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxidanylidene-ethyl] 4-phenylbenzoate Openeye Name: [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxo-ethyl] 4-phenylbenzoate CAS Name: 4-phenylbenzoic acid [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 4-phenylbenzoate Traditional Name: 4-phenylbenzoic acid [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-keto-ethyl] ester Formula: C27H31NO3 MolecularWeight: 417.53994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H31NO3/c1-18(27-14-19-11-20(15-27)13-21(12-19)16-27)28-25(29)17-31-26(30)24-9-7-23(8-10-24)22-5-3-2-4-6-22/h2-10,18-21H,11-17H2,1H3,(H,28,29)/t18-,19?,20?,21?,27?/m1/s1