dimethyl 2-[(E,3S,4R)-4-methyl-5-oxidanylidene-7-phenyl-hept-6-en-3-yl]propanedioate

Systemtic Name: dimethyl 2-[(E,3S,4R)-4-methyl-5-oxidanylidene-7-phenyl-hept-6-en-3-yl]propanedioate Openeye Name: dimethyl 2-[(E,1S,2R)-1-ethyl-2-methyl-3-oxo-5-phenyl-pent-4-enyl]propanedioate CAS Name: 2-[(E,3S,4R)-4-methyl-5-oxo-7-phenylhept-6-en-3-yl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(E,3S,4R)-4-methyl-5-oxo-7-phenylhept-6-en-3-yl]propanedioate Traditional Name: 2-[(E,1S,2R)-1-ethyl-3-keto-2-methyl-5-phenyl-pent-4-enyl]malonic acid dimethyl ester Formula: C19H24O5 MolecularWeight: 332.39086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)C(=O)C=CC1=CC=CC=C1)C(C(=O)OC)C(=O)OC

Isomeric SMILES

CC[C@@H]([C@@H](C)C(=O)/C=C/C1=CC=CC=C1)C(C(=O)OC)C(=O)OC

InChI

InChI=1S/C19H24O5/c1-5-15(17(18(21)23-3)19(22)24-4)13(2)16(20)12-11-14-9-7-6-8-10-14/h6-13,15,17H,5H2,1-4H3/b12-11+/t13-,15+/m1/s1