2-[(4-bromanylphenoxy)methyl]-1-(methoxymethyl)-3-methyl-pyrano[3,2-e]indol-7-one

Systemtic Name: 2-[(4-bromanylphenoxy)methyl]-1-(methoxymethyl)-3-methyl-pyrano[3,2-e]indol-7-one Openeye Name: 2-[(4-bromophenoxy)methyl]-1-(methoxymethyl)-3-methyl-pyrano[3,2-e]indol-7-one CAS Name: 2-[(4-bromophenoxy)methyl]-1-(methoxymethyl)-3-methyl-7-pyrano[3,2-e]indolone IUPAC Name: 2-[(4-bromophenoxy)methyl]-1-(methoxymethyl)-3-methylpyrano[3,2-e]indol-7-one Traditional Name: 2-[(4-bromophenoxy)methyl]-1-(methoxymethyl)-3-methyl-pyran[3,2-e]indol-7-one Formula: C21H18BrNO4 MolecularWeight: 428.27592

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C3=C(C=C2)OC(=O)C=C3)C(=C1COC4=CC=C(C=C4)Br)COC

Isomeric SMILES

CN1C2=C(C3=C(C=C2)OC(=O)C=C3)C(=C1COC4=CC=C(C=C4)Br)COC

InChI

InChI=1S/C21H18BrNO4/c1-23-17-8-9-19-15(7-10-20(24)27-19)21(17)16(11-25-2)18(23)12-26-14-5-3-13(22)4-6-14/h3-10H,11-12H2,1-2H3