6-[3,3-dimethyl-2-[(E)-2-phenylazanylethenyl]-2H-indol-1-yl]hexanoic acid bromide

Systemtic Name: 6-[3,3-dimethyl-2-[(E)-2-phenylazanylethenyl]-2H-indol-1-yl]hexanoic acid bromide Openeye Name: 6-[2-[(E)-2-anilinovinyl]-3,3-dimethyl-indolin-1-yl]hexanoic acid bromide CAS Name: 6-[2-[(E)-2-anilinoethenyl]-3,3-dimethyl-2H-indol-1-yl]hexanoic acid bromide IUPAC Name: 6-[2-[(E)-2-anilinoethenyl]-3,3-dimethyl-2H-indol-1-yl]hexanoic acid bromide Traditional Name: 6-[2-[(E)-2-anilinovinyl]-3,3-dimethyl-indolin-1-yl]hexanoic acid bromide Formula: C24H30BrN2O2- MolecularWeight: 458.4112

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(C2=CC=CC=C21)CCCCCC(=O)O)C=CNC3=CC=CC=C3)C.[Br-]

Isomeric SMILES

CC1(C(N(C2=CC=CC=C21)CCCCCC(=O)O)/C=C/NC3=CC=CC=C3)C.[Br-]

InChI

InChI=1S/C24H30N2O2.BrH/c1-24(2)20-13-8-9-14-21(20)26(18-10-4-7-15-23(27)28)22(24)16-17-25-19-11-5-3-6-12-19;/h3,5-6,8-9,11-14,16-17,22,25H,4,7,10,15,18H2,1-2H3,(H,27,28);1H/p-1/b17-16+;