5-[butyl-[(3-cyano-4-phenyl-phenyl)methyl]amino]-2,2-diethyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[butyl-[(3-cyano-4-phenyl-phenyl)methyl]amino]-2,2-diethyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-[butyl-[(3-cyano-4-phenyl-phenyl)methyl]amino]-2,2-diethyl-5-oxo-pentanoic acid CAS Name: 5-[butyl-[(3-cyano-4-phenylphenyl)methyl]amino]-2,2-diethyl-5-oxopentanoic acid IUPAC Name: 5-[butyl-[(3-cyano-4-phenylphenyl)methyl]amino]-2,2-diethyl-5-oxopentanoic acid Traditional Name: 5-[butyl-(3-cyano-4-phenyl-benzyl)amino]-2,2-diethyl-5-keto-valeric acid Formula: C27H34N2O3 MolecularWeight: 434.57046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N2O3/c1-4-7-17-29(25(30)15-16-27(5-2,6-3)26(31)32)20-21-13-14-24(23(18-21)19-28)22-11-9-8-10-12-22/h8-14,18H,4-7,15-17,20H2,1-3H3,(H,31,32)