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

Systemtic Name: 1-[3-[(3-cyano-4-phenyl-phenyl)methyl-propyl-amino]-3-oxidanylidene-propyl]cyclohexane-1-carboxylic acid Openeye Name: 1-[3-[(3-cyano-4-phenyl-phenyl)methyl-propyl-amino]-3-oxo-propyl]cyclohexanecarboxylic acid CAS Name: 1-[3-[(3-cyano-4-phenylphenyl)methyl-propylamino]-3-oxopropyl]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[3-[(3-cyano-4-phenylphenyl)methyl-propylamino]-3-oxopropyl]cyclohexane-1-carboxylic acid Traditional Name: 1-[3-[(3-cyano-4-phenyl-benzyl)-propyl-amino]-3-keto-propyl]cyclohexanecarboxylic acid Formula: C27H32N2O3 MolecularWeight: 432.55458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O3/c1-2-17-29(25(30)13-16-27(26(31)32)14-7-4-8-15-27)20-21-11-12-24(23(18-21)19-28)22-9-5-3-6-10-22/h3,5-6,9-12,18H,2,4,7-8,13-17,20H2,1H3,(H,31,32)