[cyano-(3-phenoxyphenyl)methyl] 3-methyl-2-[(4-methylphenyl)amino]butanoate

Systemtic Name: [cyano-(3-phenoxyphenyl)methyl] 3-methyl-2-[(4-methylphenyl)amino]butanoate Openeye Name: [cyano-(3-phenoxyphenyl)methyl] 3-methyl-2-(4-methylanilino)butanoate CAS Name: 3-methyl-2-(4-methylanilino)butanoic acid [cyano-(3-phenoxyphenyl)methyl] ester IUPAC Name: [cyano-(3-phenoxyphenyl)methyl] 3-methyl-2-(4-methylanilino)butanoate Traditional Name: 3-methyl-2-(p-toluidino)butyric acid [cyano-(3-phenoxyphenyl)methyl] ester Formula: C26H26N2O3 MolecularWeight: 414.49624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(C(C)C)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(C(C)C)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C26H26N2O3/c1-18(2)25(28-21-14-12-19(3)13-15-21)26(29)31-24(17-27)20-8-7-11-23(16-20)30-22-9-5-4-6-10-22/h4-16,18,24-25,28H,1-3H3