[2-(4-bromophenyl)-2-oxidanylidene-ethyl] (2R)-2-(1-adamantylcarbonylamino)-3-phenyl-propanoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] (2R)-2-(1-adamantylcarbonylamino)-3-phenyl-propanoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] (2R)-2-(adamantane-1-carbonylamino)-3-phenyl-propanoate CAS Name: (2R)-2-[[1-adamantyl(oxo)methyl]amino]-3-phenylpropanoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] (2R)-2-(adamantane-1-carbonylamino)-3-phenylpropanoate Traditional Name: (2R)-2-(adamantane-1-carbonylamino)-3-phenyl-propionic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C28H30BrNO4 MolecularWeight: 524.4461

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC(CC4=CC=CC=C4)C(=O)OCC(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)N[C@H](CC4=CC=CC=C4)C(=O)OCC(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C28H30BrNO4/c29-23-8-6-22(7-9-23)25(31)17-34-26(32)24(13-18-4-2-1-3-5-18)30-27(33)28-14-19-10-20(15-28)12-21(11-19)16-28/h1-9,19-21,24H,10-17H2,(H,30,33)/t19?,20?,21?,24-,28?/m1/s1