[3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl] (2S)-3-methyl-2-(2-phenoxyethanoylamino)butanoate

Systemtic Name: [3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl] (2S)-3-methyl-2-(2-phenoxyethanoylamino)butanoate Openeye Name: [3-(2-cyanoanilino)-3-oxo-propyl] (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenoxyethyl)amino]butanoic acid [3-(2-cyanoanilino)-3-oxopropyl] ester IUPAC Name: [3-(2-cyanoanilino)-3-oxopropyl] (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butyric acid [3-(2-cyanoanilino)-3-keto-propyl] ester Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCCC(=O)NC1=CC=CC=C1C#N)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCCC(=O)NC1=CC=CC=C1C#N)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C23H25N3O5/c1-16(2)22(26-21(28)15-31-18-9-4-3-5-10-18)23(29)30-13-12-20(27)25-19-11-7-6-8-17(19)14-24/h3-11,16,22H,12-13,15H2,1-2H3,(H,25,27)(H,26,28)/t22-/m0/s1