prop-2-enyl 3-[(1S,7aR)-1-cyano-7a-methyl-1,2,6,7-tetrahydroinden-4-yl]-3-oxidanylidene-propanoate

Systemtic Name: prop-2-enyl 3-[(1S,7aR)-1-cyano-7a-methyl-1,2,6,7-tetrahydroinden-4-yl]-3-oxidanylidene-propanoate Openeye Name: allyl 3-[(1S,7aR)-1-cyano-7a-methyl-1,2,6,7-tetrahydroinden-4-yl]-3-oxo-propanoate CAS Name: 3-[(1S,7aR)-1-cyano-7a-methyl-1,2,6,7-tetrahydroinden-4-yl]-3-oxopropanoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 3-[(1S,7aR)-1-cyano-7a-methyl-1,2,6,7-tetrahydroinden-4-yl]-3-oxopropanoate Traditional Name: 3-[(1S,7aR)-1-cyano-7a-methyl-1,2,6,7-tetrahydroinden-4-yl]-3-keto-propionic acid allyl ester Formula: C17H19NO3 MolecularWeight: 285.33766

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC=C(C1=CCC2C#N)C(=O)CC(=O)OCC=C

Isomeric SMILES

C[C@]12CCC=C(C1=CC[C@@H]2C#N)C(=O)CC(=O)OCC=C

InChI

InChI=1S/C17H19NO3/c1-3-9-21-16(20)10-15(19)13-5-4-8-17(2)12(11-18)6-7-14(13)17/h3,5,7,12H,1,4,6,8-10H2,2H3/t12-,17-/m1/s1