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

Systemtic Name: tert-butyl 4-[(Z)-1-(3-azanyl-2-cyano-pyrrol-1-yl)but-2-en-2-yl]benzoate Openeye Name: tert-butyl 4-[(Z)-1-[(3-amino-2-cyano-pyrrol-1-yl)methyl]prop-1-enyl]benzoate CAS Name: 4-[(Z)-1-(3-amino-2-cyano-1-pyrrolyl)but-2-en-2-yl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(Z)-1-(3-amino-2-cyanopyrrol-1-yl)but-2-en-2-yl]benzoate Traditional Name: 4-[(Z)-1-[(3-amino-2-cyano-pyrrol-1-yl)methyl]prop-1-enyl]benzoic acid tert-butyl ester Formula: C20H23N3O2 MolecularWeight: 337.41552

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(CN1C=CC(=C1C#N)N)C2=CC=C(C=C2)C(=O)OC(C)(C)C

Isomeric SMILES

C/C=C(\CN1C=CC(=C1C#N)N)/C2=CC=C(C=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H23N3O2/c1-5-14(13-23-11-10-17(22)18(23)12-21)15-6-8-16(9-7-15)19(24)25-20(2,3)4/h5-11H,13,22H2,1-4H3/b14-5+