[2-(cycloheptylamino)-2-oxidanylidene-ethyl] (3S)-5-oxidanylidene-1-phenethyl-pyrrolidine-3-carboxylate

Systemtic Name: [2-(cycloheptylamino)-2-oxidanylidene-ethyl] (3S)-5-oxidanylidene-1-phenethyl-pyrrolidine-3-carboxylate Openeye Name: [2-(cycloheptylamino)-2-oxo-ethyl] (3S)-5-oxo-1-phenethyl-pyrrolidine-3-carboxylate CAS Name: (3S)-5-oxo-1-phenethyl-3-pyrrolidinecarboxylic acid [2-(cycloheptylamino)-2-oxoethyl] ester IUPAC Name: [2-(cycloheptylamino)-2-oxoethyl] (3S)-5-oxo-1-phenethylpyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-phenethyl-pyrrolidine-3-carboxylic acid [2-(cycloheptylamino)-2-keto-ethyl] ester Formula: C22H30N2O4 MolecularWeight: 386.4846

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)COC(=O)C2CC(=O)N(C2)CCC3=CC=CC=C3

Isomeric SMILES

C1CCCC(CC1)NC(=O)COC(=O)[C@H]2CC(=O)N(C2)CCC3=CC=CC=C3

InChI

InChI=1S/C22H30N2O4/c25-20(23-19-10-6-1-2-7-11-19)16-28-22(27)18-14-21(26)24(15-18)13-12-17-8-4-3-5-9-17/h3-5,8-9,18-19H,1-2,6-7,10-16H2,(H,23,25)/t18-/m0/s1