6-[(2,4-dichlorophenyl)methyl-(pyridin-3-ylmethyl)carbamoyl]-5-ethyl-cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[(2,4-dichlorophenyl)methyl-(pyridin-3-ylmethyl)carbamoyl]-5-ethyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[(2,4-dichlorophenyl)methyl-(3-pyridylmethyl)carbamoyl]-5-ethyl-cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[(2,4-dichlorophenyl)methyl-(3-pyridinylmethyl)amino]-oxomethyl]-5-ethyl-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[(2,4-dichlorophenyl)methyl-(pyridin-3-ylmethyl)carbamoyl]-5-ethylcyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[(2,4-dichlorobenzyl)-(3-pyridylmethyl)carbamoyl]-5-ethyl-cyclohex-3-ene-1-carboxylic acid Formula: C23H24Cl2N2O3 MolecularWeight: 447.35426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C=CCC(C1C(=O)N(CC2=CN=CC=C2)CC3=C(C=C(C=C3)Cl)Cl)C(=O)O

Isomeric SMILES

CCC1C=CCC(C1C(=O)N(CC2=CN=CC=C2)CC3=C(C=C(C=C3)Cl)Cl)C(=O)O

InChI

InChI=1S/C23H24Cl2N2O3/c1-2-16-6-3-7-19(23(29)30)21(16)22(28)27(13-15-5-4-10-26-12-15)14-17-8-9-18(24)11-20(17)25/h3-6,8-12,16,19,21H,2,7,13-14H2,1H3,(H,29,30)