(1-cyanoindolizin-2-yl)methyl 2-[(4-chlorophenyl)carbonylamino]-3-methyl-pentanoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 2-[(4-chlorophenyl)carbonylamino]-3-methyl-pentanoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 2-[(4-chlorobenzoyl)amino]-3-methyl-pentanoate CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]-3-methylpentanoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 2-[(4-chlorobenzoyl)amino]-3-methylpentanoate Traditional Name: 2-[(4-chlorobenzoyl)amino]-3-methyl-valeric acid (1-cyanoindolizin-2-yl)methyl ester Formula: C23H22ClN3O3 MolecularWeight: 423.89208

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OCC1=CN2C=CC=CC2=C1C#N)NC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCC(C)C(C(=O)OCC1=CN2C=CC=CC2=C1C#N)NC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H22ClN3O3/c1-3-15(2)21(26-22(28)16-7-9-18(24)10-8-16)23(29)30-14-17-13-27-11-5-4-6-20(27)19(17)12-25/h4-11,13,15,21H,3,14H2,1-2H3,(H,26,28)