(2R)-N-(4-acetamido-3-chloranyl-phenyl)-1-(1-adamantylcarbonyl)pyrrolidine-2-carboxamide

Systemtic Name: (2R)-N-(4-acetamido-3-chloranyl-phenyl)-1-(1-adamantylcarbonyl)pyrrolidine-2-carboxamide Openeye Name: (2R)-N-(4-acetamido-3-chloro-phenyl)-1-(adamantane-1-carbonyl)pyrrolidine-2-carboxamide CAS Name: (2R)-N-(4-acetamido-3-chlorophenyl)-1-[1-adamantyl(oxo)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2R)-N-(4-acetamido-3-chlorophenyl)-1-(adamantane-1-carbonyl)pyrrolidine-2-carboxamide Traditional Name: (2R)-N-(4-acetamido-3-chloro-phenyl)-1-(adamantane-1-carbonyl)pyrrolidine-2-carboxamide Formula: C24H30ClN3O3 MolecularWeight: 443.9663

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)NC(=O)C2CCCN2C(=O)C34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)NC(=O)[C@H]2CCCN2C(=O)C34CC5CC(C3)CC(C5)C4)Cl

InChI

InChI=1S/C24H30ClN3O3/c1-14(29)26-20-5-4-18(10-19(20)25)27-22(30)21-3-2-6-28(21)23(31)24-11-15-7-16(12-24)9-17(8-15)13-24/h4-5,10,15-17,21H,2-3,6-9,11-13H2,1H3,(H,26,29)(H,27,30)/t15?,16?,17?,21-,24?/m1/s1