7-bromanyl-1-[4-(2,3-dimethylphenoxy)butyl]-5-methyl-indole-2,3-dione

Systemtic Name: 7-bromanyl-1-[4-(2,3-dimethylphenoxy)butyl]-5-methyl-indole-2,3-dione Openeye Name: 7-bromo-1-[4-(2,3-dimethylphenoxy)butyl]-5-methyl-indoline-2,3-dione CAS Name: 7-bromo-1-[4-(2,3-dimethylphenoxy)butyl]-5-methylindole-2,3-dione IUPAC Name: 7-bromo-1-[4-(2,3-dimethylphenoxy)butyl]-5-methylindole-2,3-dione Traditional Name: 7-bromo-1-[4-(2,3-dimethylphenoxy)butyl]-5-methyl-isatin Formula: C21H22BrNO3 MolecularWeight: 416.30828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCCCCN2C3=C(C=C(C=C3C(=O)C2=O)C)Br)C

Isomeric SMILES

CC1=C(C(=CC=C1)OCCCCN2C3=C(C=C(C=C3C(=O)C2=O)C)Br)C

InChI

InChI=1S/C21H22BrNO3/c1-13-11-16-19(17(22)12-13)23(21(25)20(16)24)9-4-5-10-26-18-8-6-7-14(2)15(18)3/h6-8,11-12H,4-5,9-10H2,1-3H3