3-cyano-4-oxidanyl-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxylate

Systemtic Name: 3-cyano-4-oxidanyl-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxylate Openeye Name: 3-cyano-4-hydroxy-1-(3,4,5-trimethoxyphenyl)tetralin-2-carboxylate CAS Name: 3-cyano-4-hydroxy-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxylate IUPAC Name: 3-cyano-4-hydroxy-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxylate Traditional Name: 3-cyano-4-hydroxy-1-(3,4,5-trimethoxyphenyl)tetralin-2-carboxylate Formula: C21H20NO6- MolecularWeight: 382.3866

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2C(C(C(C3=CC=CC=C23)O)C#N)C(=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2C(C(C(C3=CC=CC=C23)O)C#N)C(=O)[O-]

InChI

InChI=1S/C21H21NO6/c1-26-15-8-11(9-16(27-2)20(15)28-3)17-12-6-4-5-7-13(12)19(23)14(10-22)18(17)21(24)25/h4-9,14,17-19,23H,1-3H3,(H,24,25)/p-1