(1-cyanoindolizin-2-yl)methyl 2-[(2-methoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 2-[(2-methoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 2-[(2-methoxybenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(2-methoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 2-[(2-methoxybenzoyl)amino]-3-methylbutanoate Traditional Name: 3-methyl-2-(o-anisoylamino)butyric acid (1-cyanoindolizin-2-yl)methyl ester Formula: C23H23N3O4 MolecularWeight: 405.44642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CN2C=CC=CC2=C1C#N)NC(=O)C3=CC=CC=C3OC

Isomeric SMILES

CC(C)C(C(=O)OCC1=CN2C=CC=CC2=C1C#N)NC(=O)C3=CC=CC=C3OC

InChI

InChI=1S/C23H23N3O4/c1-15(2)21(25-22(27)17-8-4-5-10-20(17)29-3)23(28)30-14-16-13-26-11-7-6-9-19(26)18(16)12-24/h4-11,13,15,21H,14H2,1-3H3,(H,25,27)