[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-[(2-methoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-[(2-methoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(4-cyanoanilino)-2-oxo-ethyl] (2S)-2-[(2-methoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-methoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-cyanoanilino)-2-oxoethyl] (2S)-2-[(2-methoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-3-methyl-2-(o-anisoylamino)butyric acid [2-(4-cyanoanilino)-2-keto-ethyl] ester Formula: C22H23N3O5 MolecularWeight: 409.43512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1=CC=C(C=C1)C#N)NC(=O)C2=CC=CC=C2OC

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NC1=CC=C(C=C1)C#N)NC(=O)C2=CC=CC=C2OC

InChI

InChI=1S/C22H23N3O5/c1-14(2)20(25-21(27)17-6-4-5-7-18(17)29-3)22(28)30-13-19(26)24-16-10-8-15(12-23)9-11-16/h4-11,14,20H,13H2,1-3H3,(H,24,26)(H,25,27)/t20-/m0/s1