[2-[cyclohexyl(phenyl)amino]-2-oxidanylidene-ethyl] (3S)-3-acetamido-3-phenyl-propanoate

Systemtic Name: [2-[cyclohexyl(phenyl)amino]-2-oxidanylidene-ethyl] (3S)-3-acetamido-3-phenyl-propanoate Openeye Name: [2-(N-cyclohexylanilino)-2-oxo-ethyl] (3S)-3-acetamido-3-phenyl-propanoate CAS Name: (3S)-3-acetamido-3-phenylpropanoic acid [2-(N-cyclohexylanilino)-2-oxoethyl] ester IUPAC Name: [2-(N-cyclohexylanilino)-2-oxoethyl] (3S)-3-acetamido-3-phenylpropanoate Traditional Name: (3S)-3-acetamido-3-phenyl-propionic acid [2-(N-cyclohexylanilino)-2-keto-ethyl] ester Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCC(=O)N(C1CCCCC1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)N[C@@H](CC(=O)OCC(=O)N(C1CCCCC1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H30N2O4/c1-19(28)26-23(20-11-5-2-6-12-20)17-25(30)31-18-24(29)27(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-3,5-8,11-14,22-23H,4,9-10,15-18H2,1H3,(H,26,28)/t23-/m0/s1