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

Systemtic Name: tert-butyl 4-[(5-acetamido-6-cyano-2,3-dihydro-1H-inden-1-yl)amino]benzoate Openeye Name: tert-butyl 4-[(5-acetamido-6-cyano-indan-1-yl)amino]benzoate CAS Name: 4-[(5-acetamido-6-cyano-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(5-acetamido-6-cyano-2,3-dihydro-1H-inden-1-yl)amino]benzoate Traditional Name: 4-[(5-acetamido-6-cyano-indan-1-yl)amino]benzoic acid tert-butyl ester Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1C#N)C(CC2)NC3=CC=C(C=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1C#N)C(CC2)NC3=CC=C(C=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H25N3O3/c1-14(27)25-21-12-16-7-10-20(19(16)11-17(21)13-24)26-18-8-5-15(6-9-18)22(28)29-23(2,3)4/h5-6,8-9,11-12,20,26H,7,10H2,1-4H3,(H,25,27)