methyl 3-[5-[(E)-cyano-[(5E)-3,3-dimethyl-5-(2-oxidanylidene-2-phenylmethoxy-ethylidene)pyrrolidin-2-ylidene]methyl]-4-(2-methoxy-2-oxidanylidene-ethyl)-1H-pyrrol-3-yl]propanoate

Systemtic Name: methyl 3-[5-[(E)-cyano-[(5E)-3,3-dimethyl-5-(2-oxidanylidene-2-phenylmethoxy-ethylidene)pyrrolidin-2-ylidene]methyl]-4-(2-methoxy-2-oxidanylidene-ethyl)-1H-pyrrol-3-yl]propanoate Openeye Name: methyl 3-[5-[(E)-[(5E)-5-(2-benzyloxy-2-oxo-ethylidene)-3,3-dimethyl-pyrrolidin-2-ylidene]-cyano-methyl]-4-(2-methoxy-2-oxo-ethyl)-1H-pyrrol-3-yl]propanoate CAS Name: 3-[5-[(E)-cyano-[(5E)-3,3-dimethyl-5-(2-oxo-2-phenylmethoxyethylidene)-2-pyrrolidinylidene]methyl]-4-(2-methoxy-2-oxoethyl)-1H-pyrrol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[5-[(E)-cyano-[(5E)-3,3-dimethyl-5-(2-oxo-2-phenylmethoxyethylidene)pyrrolidin-2-ylidene]methyl]-4-(2-methoxy-2-oxoethyl)-1H-pyrrol-3-yl]propanoate Traditional Name: 3-[5-[(E)-[(5E)-5-(2-benzoxy-2-keto-ethylidene)-3,3-dimethyl-pyrrolidin-2-ylidene]-cyano-methyl]-4-(2-keto-2-methoxy-ethyl)-1H-pyrrol-3-yl]propionic acid methyl ester Formula: C28H31N3O6 MolecularWeight: 505.56224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=O)OCC2=CC=CC=C2)NC1=C(C#N)C3=C(C(=CN3)CCC(=O)OC)CC(=O)OC)C

Isomeric SMILES

CC\1(C/C(=C\C(=O)OCC2=CC=CC=C2)/N/C1=C(/C#N)\C3=C(C(=CN3)CCC(=O)OC)CC(=O)OC)C

InChI

InChI=1S/C28H31N3O6/c1-28(2)14-20(12-25(34)37-17-18-8-6-5-7-9-18)31-27(28)22(15-29)26-21(13-24(33)36-4)19(16-30-26)10-11-23(32)35-3/h5-9,12,16,30-31H,10-11,13-14,17H2,1-4H3/b20-12+,27-22-