[cyano-(3-phenoxyphenyl)methyl] 3-methyl-2-phenylazanyl-butanoate

Systemtic Name: [cyano-(3-phenoxyphenyl)methyl] 3-methyl-2-phenylazanyl-butanoate Openeye Name: [cyano-(3-phenoxyphenyl)methyl] 2-anilino-3-methyl-butanoate CAS Name: 2-anilino-3-methylbutanoic acid [cyano-(3-phenoxyphenyl)methyl] ester IUPAC Name: [cyano-(3-phenoxyphenyl)methyl] 2-anilino-3-methylbutanoate Traditional Name: 2-anilino-3-methyl-butyric acid [cyano-(3-phenoxyphenyl)methyl] ester Formula: C25H24N2O3 MolecularWeight: 400.46966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2)NC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2)NC3=CC=CC=C3

InChI

InChI=1S/C25H24N2O3/c1-18(2)24(27-20-11-5-3-6-12-20)25(28)30-23(17-26)19-10-9-15-22(16-19)29-21-13-7-4-8-14-21/h3-16,18,23-24,27H,1-2H3