tert-butyl 4-[1-(3-azanyl-2-cyano-pyrrol-1-yl)pentan-3-yl]benzoate

Systemtic Name: tert-butyl 4-[1-(3-azanyl-2-cyano-pyrrol-1-yl)pentan-3-yl]benzoate Openeye Name: tert-butyl 4-[3-(3-amino-2-cyano-pyrrol-1-yl)-1-ethyl-propyl]benzoate CAS Name: 4-[1-(3-amino-2-cyano-1-pyrrolyl)pentan-3-yl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(3-amino-2-cyanopyrrol-1-yl)pentan-3-yl]benzoate Traditional Name: 4-[3-(3-amino-2-cyano-pyrrol-1-yl)-1-ethyl-propyl]benzoic acid tert-butyl ester Formula: C21H27N3O2 MolecularWeight: 353.45798

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCN1C=CC(=C1C#N)N)C2=CC=C(C=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CCC(CCN1C=CC(=C1C#N)N)C2=CC=C(C=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H27N3O2/c1-5-15(10-12-24-13-11-18(23)19(24)14-22)16-6-8-17(9-7-16)20(25)26-21(2,3)4/h6-9,11,13,15H,5,10,12,23H2,1-4H3