phenyl (2S)-2-[[4-(1-adamantyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: phenyl (2S)-2-[[4-(1-adamantyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: phenyl (2S)-2-[[4-(1-adamantyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[4-(1-adamantyl)anilino]-oxomethyl]-1-pyrrolidinecarboxylic acid phenyl ester IUPAC Name: phenyl (2S)-2-[[4-(1-adamantyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[4-(1-adamantyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid phenyl ester Formula: C28H32N2O3 MolecularWeight: 444.56528

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1C[C@H](N(C1)C(=O)OC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H32N2O3/c31-26(25-7-4-12-30(25)27(32)33-24-5-2-1-3-6-24)29-23-10-8-22(9-11-23)28-16-19-13-20(17-28)15-21(14-19)18-28/h1-3,5-6,8-11,19-21,25H,4,7,12-18H2,(H,29,31)/t19?,20?,21?,25-,28?/m0/s1