[2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 2-[(4-methoxyphenyl)carbonylamino]ethanoate

Systemtic Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 2-[(4-methoxyphenyl)carbonylamino]ethanoate Openeye Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl] 2-[(4-methoxybenzoyl)amino]acetate CAS Name: 2-[[(4-methoxyphenyl)-oxomethyl]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-[(4-methoxybenzoyl)amino]acetate Traditional Name: 2-(p-anisoylamino)acetic acid [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl] ester Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O5/c1-18(11-19,13-5-6-13)21-15(22)10-26-16(23)9-20-17(24)12-3-7-14(25-2)8-4-12/h3-4,7-8,13H,5-6,9-10H2,1-2H3,(H,20,24)(H,21,22)/t18-/m0/s1