methyl (2E)-2-(1,5-dimethylpyrrolidin-2-ylidene)-3-oxidanylidene-3-(4-piperidin-1-ylphenyl)propanoate

Systemtic Name: methyl (2E)-2-(1,5-dimethylpyrrolidin-2-ylidene)-3-oxidanylidene-3-(4-piperidin-1-ylphenyl)propanoate Openeye Name: methyl (2E)-2-(1,5-dimethylpyrrolidin-2-ylidene)-3-oxo-3-[4-(1-piperidyl)phenyl]propanoate CAS Name: (2E)-2-(1,5-dimethyl-2-pyrrolidinylidene)-3-oxo-3-[4-(1-piperidinyl)phenyl]propanoic acid methyl ester IUPAC Name: methyl (2E)-2-(1,5-dimethylpyrrolidin-2-ylidene)-3-oxo-3-(4-piperidin-1-ylphenyl)propanoate Traditional Name: (2E)-2-(1,5-dimethylpyrrolidin-2-ylidene)-3-keto-3-(4-piperidinophenyl)propionic acid methyl ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(=C(C(=O)C2=CC=C(C=C2)N3CCCCC3)C(=O)OC)N1C

Isomeric SMILES

CC1CC/C(=C(/C(=O)C2=CC=C(C=C2)N3CCCCC3)\C(=O)OC)/N1C

InChI

InChI=1S/C21H28N2O3/c1-15-7-12-18(22(15)2)19(21(25)26-3)20(24)16-8-10-17(11-9-16)23-13-5-4-6-14-23/h8-11,15H,4-7,12-14H2,1-3H3/b19-18+