[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-phenylazanylphenoxy)ethanoate

Systemtic Name: [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-phenylazanylphenoxy)ethanoate Openeye Name: [(1R)-2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 2-(4-anilinophenoxy)acetate CAS Name: 2-(4-anilinophenoxy)acetic acid [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 2-(4-anilinophenoxy)acetate Traditional Name: 2-(4-anilinophenoxy)acetic acid [(1R)-2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)COC2=CC=C(C=C2)NC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1(CCCCC1)C#N)OC(=O)COC2=CC=C(C=C2)NC3=CC=CC=C3

InChI

InChI=1S/C24H27N3O4/c1-18(23(29)27-24(17-25)14-6-3-7-15-24)31-22(28)16-30-21-12-10-20(11-13-21)26-19-8-4-2-5-9-19/h2,4-5,8-13,18,26H,3,6-7,14-16H2,1H3,(H,27,29)/t18-/m1/s1