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

Systemtic Name: 6-[[4-(4-ethylpiperazin-1-yl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[4-(4-ethylpiperazin-1-yl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[4-(4-ethyl-1-piperazinyl)anilino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[4-(4-ethylpiperazin-1-yl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[4-(4-ethylpiperazino)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C20H27N3O3 MolecularWeight: 357.44668

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3CC=CCC3C(=O)O

Isomeric SMILES

CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3CC=CCC3C(=O)O

InChI

InChI=1S/C20H27N3O3/c1-2-22-11-13-23(14-12-22)16-9-7-15(8-10-16)21-19(24)17-5-3-4-6-18(17)20(25)26/h3-4,7-10,17-18H,2,5-6,11-14H2,1H3,(H,21,24)(H,25,26)