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

Systemtic Name: [3-[2-[1-methyl-5-oxidanylidene-4-(piperidin-1-ylmethyl)pyrrolidin-2-yl]ethynyl]phenyl] ethanoate Openeye Name: [3-[2-[1-methyl-5-oxo-4-(1-piperidylmethyl)pyrrolidin-2-yl]ethynyl]phenyl] acetate CAS Name: acetic acid [3-[2-[1-methyl-5-oxo-4-(1-piperidinylmethyl)-2-pyrrolidinyl]ethynyl]phenyl] ester IUPAC Name: [3-[2-[1-methyl-5-oxo-4-(piperidin-1-ylmethyl)pyrrolidin-2-yl]ethynyl]phenyl] acetate Traditional Name: acetic acid [3-[2-[5-keto-1-methyl-4-(piperidinomethyl)pyrrolidin-2-yl]ethynyl]phenyl] ester Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC(=C1)C#CC2CC(C(=O)N2C)CN3CCCCC3

Isomeric SMILES

CC(=O)OC1=CC=CC(=C1)C#CC2CC(C(=O)N2C)CN3CCCCC3

InChI

InChI=1S/C21H26N2O3/c1-16(24)26-20-8-6-7-17(13-20)9-10-19-14-18(21(25)22(19)2)15-23-11-4-3-5-12-23/h6-8,13,18-19H,3-5,11-12,14-15H2,1-2H3