tert-butyl 4-[(5-acetamido-6-bromanyl-2,3-dihydro-1H-inden-1-yl)amino]benzoate

Systemtic Name: tert-butyl 4-[(5-acetamido-6-bromanyl-2,3-dihydro-1H-inden-1-yl)amino]benzoate Openeye Name: tert-butyl 4-[(5-acetamido-6-bromo-indan-1-yl)amino]benzoate CAS Name: 4-[(5-acetamido-6-bromo-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(5-acetamido-6-bromo-2,3-dihydro-1H-inden-1-yl)amino]benzoate Traditional Name: 4-[(5-acetamido-6-bromo-indan-1-yl)amino]benzoic acid tert-butyl ester Formula: C22H25BrN2O3 MolecularWeight: 445.3495

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C2C(CCC2=C1)NC3=CC=C(C=C3)C(=O)OC(C)(C)C)Br

Isomeric SMILES

CC(=O)NC1=C(C=C2C(CCC2=C1)NC3=CC=C(C=C3)C(=O)OC(C)(C)C)Br

InChI

InChI=1S/C22H25BrN2O3/c1-13(26)24-20-11-15-7-10-19(17(15)12-18(20)23)25-16-8-5-14(6-9-16)21(27)28-22(2,3)4/h5-6,8-9,11-12,19,25H,7,10H2,1-4H3,(H,24,26)