ethyl 3-[(1S,4aS,8aS)-4a-cyano-7-ethoxy-1-methyl-5-oxidanylidene-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl]propanoate

Systemtic Name: ethyl 3-[(1S,4aS,8aS)-4a-cyano-7-ethoxy-1-methyl-5-oxidanylidene-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl]propanoate Openeye Name: ethyl 3-[(1S,4aS,8aS)-4a-cyano-7-ethoxy-1-methyl-5-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl]propanoate CAS Name: 3-[(1S,4aS,8aS)-4a-cyano-7-ethoxy-1-methyl-5-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(1S,4aS,8aS)-4a-cyano-7-ethoxy-1-methyl-5-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl]propanoate Traditional Name: 3-[(1S,4aS,8aS)-4a-cyano-7-ethoxy-5-keto-1-methyl-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl]propionic acid ethyl ester Formula: C19H27NO4 MolecularWeight: 333.42198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=O)C2(CCCC(C2C1)(C)CCC(=O)OCC)C#N

Isomeric SMILES

CCOC1=CC(=O)[C@]2(CCC[C@@]([C@@H]2C1)(C)CCC(=O)OCC)C#N

InChI

InChI=1S/C19H27NO4/c1-4-23-14-11-15-18(3,10-7-17(22)24-5-2)8-6-9-19(15,13-20)16(21)12-14/h12,15H,4-11H2,1-3H3/t15-,18-,19+/m0/s1