3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 6-chlorochromane-3-carboxylate CAS Name: 6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: 6-chlorochroman-3-carboxylic acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C20H19ClN2O4 MolecularWeight: 386.82886

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Descriptors Computed from Structure

Canonical SMILES:

C1C(COC2=C1C=C(C=C2)Cl)C(=O)OCCCN3C4=CC=CC=C4NC3=O

Isomeric SMILES

C1C(COC2=C1C=C(C=C2)Cl)C(=O)OCCCN3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C20H19ClN2O4/c21-15-6-7-18-13(11-15)10-14(12-27-18)19(24)26-9-3-8-23-17-5-2-1-4-16(17)22-20(23)25/h1-2,4-7,11,14H,3,8-10,12H2,(H,22,25)