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

Systemtic Name: 6-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[4-(4-benzylpiperazin-1-yl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[oxo-[4-[4-(phenylmethyl)-1-piperazinyl]anilino]methyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[4-(4-benzylpiperazin-1-yl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[4-(4-benzylpiperazino)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4CC=CCC4C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4CC=CCC4C(=O)O

InChI

InChI=1S/C25H29N3O3/c29-24(22-8-4-5-9-23(22)25(30)31)26-20-10-12-21(13-11-20)28-16-14-27(15-17-28)18-19-6-2-1-3-7-19/h1-7,10-13,22-23H,8-9,14-18H2,(H,26,29)(H,30,31)