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

Systemtic Name: [4-chloranyl-2-(phenylmethyl)phenyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: (2-benzyl-4-chloro-phenyl) (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (3S)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [4-chloro-2-(phenylmethyl)phenyl] ester IUPAC Name: (2-benzyl-4-chlorophenyl) (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (3S)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid (2-benzyl-4-chloro-phenyl) ester Formula: C22H17ClO4 MolecularWeight: 380.82098

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C(=O)OC3=C(C=C(C=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

C1[C@H](OC2=CC=CC=C2O1)C(=O)OC3=C(C=C(C=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C22H17ClO4/c23-17-10-11-18(16(13-17)12-15-6-2-1-3-7-15)27-22(24)21-14-25-19-8-4-5-9-20(19)26-21/h1-11,13,21H,12,14H2/t21-/m0/s1