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

Systemtic Name: tert-butyl 4-[4-(3-azanyl-2-cyano-pyrrol-1-yl)butan-2-yl]benzoate Openeye Name: tert-butyl 4-[3-(3-amino-2-cyano-pyrrol-1-yl)-1-methyl-propyl]benzoate CAS Name: 4-[4-(3-amino-2-cyano-1-pyrrolyl)butan-2-yl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(3-amino-2-cyanopyrrol-1-yl)butan-2-yl]benzoate Traditional Name: 4-[3-(3-amino-2-cyano-pyrrol-1-yl)-1-methyl-propyl]benzoic acid tert-butyl ester Formula: C20H25N3O2 MolecularWeight: 339.4314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O2/c1-14(9-11-23-12-10-17(22)18(23)13-21)15-5-7-16(8-6-15)19(24)25-20(2,3)4/h5-8,10,12,14H,9,11,22H2,1-4H3