(1-cyanoindolizin-2-yl)methyl 2-[(4-tert-butylphenyl)carbonylamino]ethanoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 2-[(4-tert-butylphenyl)carbonylamino]ethanoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 2-[(4-tert-butylbenzoyl)amino]acetate CAS Name: 2-[[(4-tert-butylphenyl)-oxomethyl]amino]acetic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 2-[(4-tert-butylbenzoyl)amino]acetate Traditional Name: 2-[(4-tert-butylbenzoyl)amino]acetic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)OCC2=CN3C=CC=CC3=C2C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)OCC2=CN3C=CC=CC3=C2C#N

InChI

InChI=1S/C23H23N3O3/c1-23(2,3)18-9-7-16(8-10-18)22(28)25-13-21(27)29-15-17-14-26-11-5-4-6-20(26)19(17)12-24/h4-11,14H,13,15H2,1-3H3,(H,25,28)