methyl 4-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylamino]-3-methyl-benzoate

Systemtic Name: methyl 4-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylamino]-3-methyl-benzoate Openeye Name: methyl 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylamino]-3-methyl-benzoate CAS Name: 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylamino]-3-methylbenzoic acid methyl ester IUPAC Name: methyl 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylamino]-3-methylbenzoate Traditional Name: 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylamino]-3-methyl-benzoic acid methyl ester Formula: C18H18ClNO4 MolecularWeight: 347.79282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC)NCC2=C3C(=CC(=C2)Cl)COCO3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC)NCC2=C3C(=CC(=C2)Cl)COCO3

InChI

InChI=1S/C18H18ClNO4/c1-11-5-12(18(21)22-2)3-4-16(11)20-8-13-6-15(19)7-14-9-23-10-24-17(13)14/h3-7,20H,8-10H2,1-2H3