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

Systemtic Name: [3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl] (2S)-2-benzamido-3-methyl-butanoate Openeye Name: [3-(2-cyanoanilino)-3-oxo-propyl] (2S)-2-benzamido-3-methyl-butanoate CAS Name: (2S)-2-benzamido-3-methylbutanoic acid [3-(2-cyanoanilino)-3-oxopropyl] ester IUPAC Name: [3-(2-cyanoanilino)-3-oxopropyl] (2S)-2-benzamido-3-methylbutanoate Traditional Name: (2S)-2-benzamido-3-methyl-butyric acid [3-(2-cyanoanilino)-3-keto-propyl] ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4/c1-15(2)20(25-21(27)16-8-4-3-5-9-16)22(28)29-13-12-19(26)24-18-11-7-6-10-17(18)14-23/h3-11,15,20H,12-13H2,1-2H3,(H,24,26)(H,25,27)/t20-/m0/s1