(3aR,6aS)-5-cyano-5-(3-ethoxy-4-methoxy-phenyl)-2,3,3a,4,6,6a-hexahydro-1H-pentalene-2-carboxylic acid

Systemtic Name: (3aR,6aS)-5-cyano-5-(3-ethoxy-4-methoxy-phenyl)-2,3,3a,4,6,6a-hexahydro-1H-pentalene-2-carboxylic acid Openeye Name: (3aR,6aS)-5-cyano-5-(3-ethoxy-4-methoxy-phenyl)-2,3,3a,4,6,6a-hexahydro-1H-pentalene-2-carboxylic acid CAS Name: (3aR,6aS)-5-cyano-5-(3-ethoxy-4-methoxyphenyl)-2,3,3a,4,6,6a-hexahydro-1H-pentalene-2-carboxylic acid IUPAC Name: (3aR,6aS)-5-cyano-5-(3-ethoxy-4-methoxyphenyl)-2,3,3a,4,6,6a-hexahydro-1H-pentalene-2-carboxylic acid Traditional Name: (3aR,6aS)-5-cyano-5-(3-ethoxy-4-methoxy-phenyl)-2,3,3a,4,6,6a-hexahydro-1H-pentalene-2-carboxylic acid Formula: C19H23NO4 MolecularWeight: 329.39022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2(CC3CC(CC3C2)C(=O)O)C#N)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2(C[C@H]3CC(C[C@H]3C2)C(=O)O)C#N)OC

InChI

InChI=1S/C19H23NO4/c1-3-24-17-8-15(4-5-16(17)23-2)19(11-20)9-13-6-12(18(21)22)7-14(13)10-19/h4-5,8,12-14H,3,6-7,9-10H2,1-2H3,(H,21,22)/t12?,13-,14+,19?