6-[[4-(cyclohexylcarbamoylamino)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[[4-(cyclohexylcarbamoylamino)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[4-(cyclohexylcarbamoylamino)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[4-[[(cyclohexylamino)-oxomethyl]amino]anilino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[4-(cyclohexylcarbamoylamino)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[4-(cyclohexylcarbamoylamino)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C21H27N3O4 MolecularWeight: 385.45678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NC2=CC=C(C=C2)NC(=O)C3CC=CCC3C(=O)O

Isomeric SMILES

C1CCC(CC1)NC(=O)NC2=CC=C(C=C2)NC(=O)C3CC=CCC3C(=O)O

InChI

InChI=1S/C21H27N3O4/c25-19(17-8-4-5-9-18(17)20(26)27)22-15-10-12-16(13-11-15)24-21(28)23-14-6-2-1-3-7-14/h4-5,10-14,17-18H,1-3,6-9H2,(H,22,25)(H,26,27)(H2,23,24,28)