5-bromanyl-7-methyl-1-[(2-pentoxyphenyl)methyl]indole-2,3-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1CN2C3=C(C=C(C=C3C(=O)C2=O)Br)C

Isomeric SMILES

CCCCCOC1=CC=CC=C1CN2C3=C(C=C(C=C3C(=O)C2=O)Br)C

InChI

InChI=1S/C21H22BrNO3/c1-3-4-7-10-26-18-9-6-5-8-15(18)13-23-19-14(2)11-16(22)12-17(19)20(24)21(23)25/h5-6,8-9,11-12H,3-4,7,10,13H2,1-2H3