1,3-benzoxazol-2-ylmethyl (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate

Systemtic Name: 1,3-benzoxazol-2-ylmethyl (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: 1,3-benzoxazol-2-ylmethyl (3S)-6-chlorochromane-3-carboxylate CAS Name: (3S)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid 1,3-benzoxazol-2-ylmethyl ester IUPAC Name: 1,3-benzoxazol-2-ylmethyl (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: (3S)-6-chlorochroman-3-carboxylic acid 1,3-benzoxazol-2-ylmethyl ester Formula: C18H14ClNO4 MolecularWeight: 343.76106

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Descriptors Computed from Structure

Canonical SMILES:

C1C(COC2=C1C=C(C=C2)Cl)C(=O)OCC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1[C@@H](COC2=C1C=C(C=C2)Cl)C(=O)OCC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C18H14ClNO4/c19-13-5-6-15-11(8-13)7-12(9-22-15)18(21)23-10-17-20-14-3-1-2-4-16(14)24-17/h1-6,8,12H,7,9-10H2/t12-/m0/s1