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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1=CC=CC=C1C#N)NC(=O)C2=CC=CC=C2OC

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NC1=CC=CC=C1C#N)NC(=O)C2=CC=CC=C2OC

InChI

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