ethyl 3-[2-[1-methyl-5-oxidanylidene-4-(piperidin-1-ylmethyl)pyrrolidin-2-yl]ethynyl]benzoate

Systemtic Name: ethyl 3-[2-[1-methyl-5-oxidanylidene-4-(piperidin-1-ylmethyl)pyrrolidin-2-yl]ethynyl]benzoate Openeye Name: ethyl 3-[2-[1-methyl-5-oxo-4-(1-piperidylmethyl)pyrrolidin-2-yl]ethynyl]benzoate CAS Name: 3-[2-[1-methyl-5-oxo-4-(1-piperidinylmethyl)-2-pyrrolidinyl]ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[2-[1-methyl-5-oxo-4-(piperidin-1-ylmethyl)pyrrolidin-2-yl]ethynyl]benzoate Traditional Name: 3-[2-[5-keto-1-methyl-4-(piperidinomethyl)pyrrolidin-2-yl]ethynyl]benzoic acid ethyl ester Formula: C22H28N2O3 MolecularWeight: 368.46932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC(=C1)C#CC2CC(C(=O)N2C)CN3CCCCC3

Isomeric SMILES

CCOC(=O)C1=CC=CC(=C1)C#CC2CC(C(=O)N2C)CN3CCCCC3

InChI

InChI=1S/C22H28N2O3/c1-3-27-22(26)18-9-7-8-17(14-18)10-11-20-15-19(21(25)23(20)2)16-24-12-5-4-6-13-24/h7-9,14,19-20H,3-6,12-13,15-16H2,1-2H3