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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)C4=CC=CC=C4C5=CC=CC=C5

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)C4=CC=CC=C4C5=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)24-10-6-5-9-23(24)22-7-3-2-4-8-22/h2-10,18-21H,11-17H2,1H3,(H,28,29)/t18-,19?,20?,21?,27?/m1/s1