[2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 2-(naphthalen-2-ylcarbonylamino)ethanoate

Systemtic Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 2-(naphthalen-2-ylcarbonylamino)ethanoate Openeye Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl] 2-(naphthalene-2-carbonylamino)acetate CAS Name: 2-[[2-naphthalenyl(oxo)methyl]amino]acetic acid [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate Traditional Name: 2-(2-naphthoylamino)acetic acid [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl] ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)COC(=O)CNC(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)COC(=O)CNC(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H21N3O4/c1-21(13-22,17-8-9-17)24-18(25)12-28-19(26)11-23-20(27)16-7-6-14-4-2-3-5-15(14)10-16/h2-7,10,17H,8-9,11-12H2,1H3,(H,23,27)(H,24,25)/t21-/m0/s1