methyl 2-cyano-3-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-3-oxidanylidene-propanoate

Systemtic Name: methyl 2-cyano-3-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-3-oxidanylidene-propanoate Openeye Name: methyl 3-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-3-oxo-propanoate CAS Name: 2-cyano-3-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-cyano-3-oxopropanoate Traditional Name: 3-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-3-keto-propionic acid methyl ester Formula: C18H18N2O3 MolecularWeight: 310.34712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)C(C#N)C(=O)OC

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)C(C#N)C(=O)OC

InChI

InChI=1S/C18H18N2O3/c1-12-9-15(17(21)16(10-19)18(22)23-3)13(2)20(12)11-14-7-5-4-6-8-14/h4-9,16H,11H2,1-3H3