methyl 4-[butyl-[(3-cyano-4-phenyl-phenyl)methyl]amino]-2,2-dimethyl-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[butyl-[(3-cyano-4-phenyl-phenyl)methyl]amino]-2,2-dimethyl-4-oxidanylidene-butanoate Openeye Name: methyl 4-[butyl-[(3-cyano-4-phenyl-phenyl)methyl]amino]-2,2-dimethyl-4-oxo-butanoate CAS Name: 4-[butyl-[(3-cyano-4-phenylphenyl)methyl]amino]-2,2-dimethyl-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[butyl-[(3-cyano-4-phenylphenyl)methyl]amino]-2,2-dimethyl-4-oxobutanoate Traditional Name: 4-[butyl-(3-cyano-4-phenyl-benzyl)amino]-4-keto-2,2-dimethyl-butyric acid methyl ester Formula: C25H30N2O3 MolecularWeight: 406.5173

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC(=C(C=C1)C2=CC=CC=C2)C#N)C(=O)CC(C)(C)C(=O)OC

Isomeric SMILES

CCCCN(CC1=CC(=C(C=C1)C2=CC=CC=C2)C#N)C(=O)CC(C)(C)C(=O)OC

InChI

InChI=1S/C25H30N2O3/c1-5-6-14-27(23(28)16-25(2,3)24(29)30-4)18-19-12-13-22(21(15-19)17-26)20-10-8-7-9-11-20/h7-13,15H,5-6,14,16,18H2,1-4H3