methyl 3-[2-(3-methoxyprop-1-ynyl)phenyl]-3-oxidanylidene-propanoate

Systemtic Name: methyl 3-[2-(3-methoxyprop-1-ynyl)phenyl]-3-oxidanylidene-propanoate Openeye Name: methyl 3-[2-(3-methoxyprop-1-ynyl)phenyl]-3-oxo-propanoate CAS Name: 3-[2-(3-methoxyprop-1-ynyl)phenyl]-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-[2-(3-methoxyprop-1-ynyl)phenyl]-3-oxopropanoate Traditional Name: 3-keto-3-[2-(3-methoxyprop-1-ynyl)phenyl]propionic acid methyl ester Formula: C14H14O4 MolecularWeight: 246.25856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC#CC1=CC=CC=C1C(=O)CC(=O)OC

Isomeric SMILES

COCC#CC1=CC=CC=C1C(=O)CC(=O)OC

InChI

InChI=1S/C14H14O4/c1-17-9-5-7-11-6-3-4-8-12(11)13(15)10-14(16)18-2/h3-4,6,8H,9-10H2,1-2H3