(3-cyanophenyl)methyl (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate

Systemtic Name: (3-cyanophenyl)methyl (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: (3-cyanophenyl)methyl (3S)-6-chlorochromane-3-carboxylate CAS Name: (3S)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: (3S)-6-chlorochroman-3-carboxylic acid (3-cyanobenzyl) ester Formula: C18H14ClNO3 MolecularWeight: 327.76166

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Descriptors Computed from Structure

Canonical SMILES:

C1C(COC2=C1C=C(C=C2)Cl)C(=O)OCC3=CC=CC(=C3)C#N

Isomeric SMILES

C1[C@@H](COC2=C1C=C(C=C2)Cl)C(=O)OCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C18H14ClNO3/c19-16-4-5-17-14(8-16)7-15(11-22-17)18(21)23-10-13-3-1-2-12(6-13)9-20/h1-6,8,15H,7,10-11H2/t15-/m0/s1