(7-chloranyl-1,3-benzodioxol-5-yl)methyl 2-(methoxymethyl)-4-methyl-quinoline-3-carboxylate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 2-(methoxymethyl)-4-methyl-quinoline-3-carboxylate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 2-(methoxymethyl)-4-methyl-quinoline-3-carboxylate CAS Name: 2-(methoxymethyl)-4-methyl-3-quinolinecarboxylic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 2-(methoxymethyl)-4-methylquinoline-3-carboxylate Traditional Name: 2-(methoxymethyl)-4-methyl-quinoline-3-carboxylic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C21H18ClNO5 MolecularWeight: 399.82432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC)C(=O)OCC3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC)C(=O)OCC3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C21H18ClNO5/c1-12-14-5-3-4-6-16(14)23-17(10-25-2)19(12)21(24)26-9-13-7-15(22)20-18(8-13)27-11-28-20/h3-8H,9-11H2,1-2H3