[4-(3-bromanyl-4,5-dimethoxy-phenyl)-7-methyl-3,4-dihydro-2H-pyrano[2,3-e]indol-2-yl] ethanoate

Systemtic Name: [4-(3-bromanyl-4,5-dimethoxy-phenyl)-7-methyl-3,4-dihydro-2H-pyrano[2,3-e]indol-2-yl] ethanoate Openeye Name: [4-(3-bromo-4,5-dimethoxy-phenyl)-7-methyl-3,4-dihydro-2H-pyrano[2,3-e]indol-2-yl] acetate CAS Name: acetic acid [4-(3-bromo-4,5-dimethoxyphenyl)-7-methyl-3,4-dihydro-2H-pyrano[2,3-e]indol-2-yl] ester IUPAC Name: [4-(3-bromo-4,5-dimethoxyphenyl)-7-methyl-3,4-dihydro-2H-pyrano[2,3-e]indol-2-yl] acetate Traditional Name: acetic acid [4-(3-bromo-4,5-dimethoxy-phenyl)-7-methyl-3,4-dihydro-2H-pyran[2,3-e]indol-2-yl] ester Formula: C22H22BrNO5 MolecularWeight: 460.31778

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(C2=C(O1)C3=C(C=C2)N(C=C3)C)C4=CC(=C(C(=C4)Br)OC)OC

Isomeric SMILES

CC(=O)OC1CC(C2=C(O1)C3=C(C=C2)N(C=C3)C)C4=CC(=C(C(=C4)Br)OC)OC

InChI

InChI=1S/C22H22BrNO5/c1-12(25)28-20-11-16(13-9-17(23)22(27-4)19(10-13)26-3)14-5-6-18-15(21(14)29-20)7-8-24(18)2/h5-10,16,20H,11H2,1-4H3