[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-2-(4-cyanophenoxy)propanoate

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-2-(4-cyanophenoxy)propanoate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] (2S)-2-(4-cyanophenoxy)propanoate CAS Name: (2S)-2-(4-cyanophenoxy)propanoic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate Traditional Name: (2S)-2-(4-cyanophenoxy)propionic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H23N3O5 MolecularWeight: 361.39232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)COC(=O)C(C)OC1=CC=C(C=C1)C#N

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NC(=O)NCCC(C)C)OC1=CC=C(C=C1)C#N

InChI

InChI=1S/C18H23N3O5/c1-12(2)8-9-20-18(24)21-16(22)11-25-17(23)13(3)26-15-6-4-14(10-19)5-7-15/h4-7,12-13H,8-9,11H2,1-3H3,(H2,20,21,22,24)/t13-/m0/s1