ethyl 1-[2-[[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]propanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[3-(2-oxopyrrolidin-1-yl)anilino]propanoyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-[3-(2-oxo-1-pyrrolidinyl)anilino]propyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[3-(2-oxopyrrolidin-1-yl)anilino]propanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[3-(2-ketopyrrolidino)anilino]propanoyl]isonipecotic acid ethyl ester Formula: C21H29N3O4 MolecularWeight: 387.47266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)NC2=CC=CC(=C2)N3CCCC3=O

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C(C)NC2=CC=CC(=C2)N3CCCC3=O

InChI

InChI=1S/C21H29N3O4/c1-3-28-21(27)16-9-12-23(13-10-16)20(26)15(2)22-17-6-4-7-18(14-17)24-11-5-8-19(24)25/h4,6-7,14-16,22H,3,5,8-13H2,1-2H3