(4-pyrrolidin-1-ylcarbonylphenyl)methyl 2-(1-adamantylcarbonylamino)ethanoate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)COC(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)COC(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H32N2O4/c28-22(15-26-24(30)25-12-18-9-19(13-25)11-20(10-18)14-25)31-16-17-3-5-21(6-4-17)23(29)27-7-1-2-8-27/h3-6,18-20H,1-2,7-16H2,(H,26,30)