methyl (2E)-4-(4-chlorophenyl)-4-oxidanylidene-2-[1-(phenylmethyl)pyrrolidin-2-ylidene]butanoate

Systemtic Name: methyl (2E)-4-(4-chlorophenyl)-4-oxidanylidene-2-[1-(phenylmethyl)pyrrolidin-2-ylidene]butanoate Openeye Name: methyl (2E)-2-(1-benzylpyrrolidin-2-ylidene)-4-(4-chlorophenyl)-4-oxo-butanoate CAS Name: (2E)-4-(4-chlorophenyl)-4-oxo-2-[1-(phenylmethyl)-2-pyrrolidinylidene]butanoic acid methyl ester IUPAC Name: methyl (2E)-2-(1-benzylpyrrolidin-2-ylidene)-4-(4-chlorophenyl)-4-oxobutanoate Traditional Name: (2E)-2-(1-benzylpyrrolidin-2-ylidene)-4-(4-chlorophenyl)-4-keto-butyric acid methyl ester Formula: C22H22ClNO3 MolecularWeight: 383.86798

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C1CCCN1CC2=CC=CC=C2)CC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)/C(=C/1\CCCN1CC2=CC=CC=C2)/CC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H22ClNO3/c1-27-22(26)19(14-21(25)17-9-11-18(23)12-10-17)20-8-5-13-24(20)15-16-6-3-2-4-7-16/h2-4,6-7,9-12H,5,8,13-15H2,1H3/b20-19+