[4-(4-cyanophenyl)phenyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: [4-(4-cyanophenyl)phenyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: [4-(4-cyanophenyl)phenyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (3S)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (3S)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [4-(4-cyanophenyl)phenyl] ester Formula: C22H15NO4 MolecularWeight: 357.3588

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1[C@H](OC2=CC=CC=C2O1)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H15NO4/c23-13-15-5-7-16(8-6-15)17-9-11-18(12-10-17)26-22(24)21-14-25-19-3-1-2-4-20(19)27-21/h1-12,21H,14H2/t21-/m0/s1