[2-(1-adamantylamino)-2-oxidanylidene-ethyl] (3S)-1-(4-ethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] (3S)-1-(4-ethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] (3S)-1-(4-ethylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(4-ethylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] (3S)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(4-ethylphenyl)-5-keto-pyrrolidine-3-carboxylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCC1=CC=C(C=C1)N2C[C@H](CC2=O)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H32N2O4/c1-2-16-3-5-21(6-4-16)27-14-20(10-23(27)29)24(30)31-15-22(28)26-25-11-17-7-18(12-25)9-19(8-17)13-25/h3-6,17-20H,2,7-15H2,1H3,(H,26,28)/t17?,18?,19?,20-,25?/m0/s1