2-[[3-(4-cyanophenyl)-2-cyclohexyl-propanoyl]-(cyclohexylmethyl)amino]ethanoic acid

Systemtic Name: 2-[[3-(4-cyanophenyl)-2-cyclohexyl-propanoyl]-(cyclohexylmethyl)amino]ethanoic acid Openeye Name: 2-[[3-(4-cyanophenyl)-2-cyclohexyl-propanoyl]-(cyclohexylmethyl)amino]acetic acid CAS Name: 2-[[3-(4-cyanophenyl)-2-cyclohexyl-1-oxopropyl]-(cyclohexylmethyl)amino]acetic acid IUPAC Name: 2-[[3-(4-cyanophenyl)-2-cyclohexylpropanoyl]-(cyclohexylmethyl)amino]acetic acid Traditional Name: 2-[[3-(4-cyanophenyl)-2-cyclohexyl-propanoyl]-(cyclohexylmethyl)amino]acetic acid Formula: C25H34N2O3 MolecularWeight: 410.54906

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN(CC(=O)O)C(=O)C(CC2=CC=C(C=C2)C#N)C3CCCCC3

Isomeric SMILES

C1CCC(CC1)CN(CC(=O)O)C(=O)C(CC2=CC=C(C=C2)C#N)C3CCCCC3

InChI

InChI=1S/C25H34N2O3/c26-16-20-13-11-19(12-14-20)15-23(22-9-5-2-6-10-22)25(30)27(18-24(28)29)17-21-7-3-1-4-8-21/h11-14,21-23H,1-10,15,17-18H2,(H,28,29)