1-[3-[butyl-[(3-cyano-4-phenyl-phenyl)methyl]amino]-3-oxidanylidene-propyl]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[3-[butyl-[(3-cyano-4-phenyl-phenyl)methyl]amino]-3-oxidanylidene-propyl]cyclohexane-1-carboxylic acid Openeye Name: 1-[3-[butyl-[(3-cyano-4-phenyl-phenyl)methyl]amino]-3-oxo-propyl]cyclohexanecarboxylic acid CAS Name: 1-[3-[butyl-[(3-cyano-4-phenylphenyl)methyl]amino]-3-oxopropyl]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[3-[butyl-[(3-cyano-4-phenylphenyl)methyl]amino]-3-oxopropyl]cyclohexane-1-carboxylic acid Traditional Name: 1-[3-[butyl-(3-cyano-4-phenyl-benzyl)amino]-3-keto-propyl]cyclohexanecarboxylic acid Formula: C28H34N2O3 MolecularWeight: 446.58116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC(=C(C=C1)C2=CC=CC=C2)C#N)C(=O)CCC3(CCCCC3)C(=O)O

Isomeric SMILES

CCCCN(CC1=CC(=C(C=C1)C2=CC=CC=C2)C#N)C(=O)CCC3(CCCCC3)C(=O)O

InChI

InChI=1S/C28H34N2O3/c1-2-3-18-30(26(31)14-17-28(27(32)33)15-8-5-9-16-28)21-22-12-13-25(24(19-22)20-29)23-10-6-4-7-11-23/h4,6-7,10-13,19H,2-3,5,8-9,14-18,21H2,1H3,(H,32,33)