6-[2-(3,4-diethoxyphenyl)ethylcarbamoyl]-4-methyl-cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[2-(3,4-diethoxyphenyl)ethylcarbamoyl]-4-methyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[2-(3,4-diethoxyphenyl)ethylcarbamoyl]-4-methyl-cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[2-(3,4-diethoxyphenyl)ethylamino]-oxomethyl]-4-methyl-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[2-(3,4-diethoxyphenyl)ethylcarbamoyl]-4-methylcyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[2-(3,4-diethoxyphenyl)ethylcarbamoyl]-4-methyl-cyclohex-3-ene-1-carboxylic acid Formula: C21H29NO5 MolecularWeight: 375.45866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)C2CC(=CCC2C(=O)O)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)C2CC(=CCC2C(=O)O)C)OCC

InChI

InChI=1S/C21H29NO5/c1-4-26-18-9-7-15(13-19(18)27-5-2)10-11-22-20(23)17-12-14(3)6-8-16(17)21(24)25/h6-7,9,13,16-17H,4-5,8,10-12H2,1-3H3,(H,22,23)(H,24,25)