1-[2-[[3-(diethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[2-[[3-(diethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid Openeye Name: 1-[2-[3-(diethylcarbamoyl)anilino]-2-oxo-ethyl]cycloheptanecarboxylic acid CAS Name: 1-[2-[3-[diethylamino(oxo)methyl]anilino]-2-oxoethyl]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]cycloheptane-1-carboxylic acid Traditional Name: 1-[2-[3-(diethylcarbamoyl)anilino]-2-keto-ethyl]cycloheptanecarboxylic acid Formula: C21H30N2O4 MolecularWeight: 374.4739

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)CC2(CCCCCC2)C(=O)O

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)CC2(CCCCCC2)C(=O)O

InChI

InChI=1S/C21H30N2O4/c1-3-23(4-2)19(25)16-10-9-11-17(14-16)22-18(24)15-21(20(26)27)12-7-5-6-8-13-21/h9-11,14H,3-8,12-13,15H2,1-2H3,(H,22,24)(H,26,27)