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

Systemtic Name: (1S,6S)-6-[[4-(4-phenylpiperazin-1-yl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6S)-6-[[4-(4-phenylpiperazin-1-yl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6S)-6-[oxo-[4-(4-phenyl-1-piperazinyl)anilino]methyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6S)-6-[[4-(4-phenylpiperazin-1-yl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6S)-6-[[4-(4-phenylpiperazino)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4CC=CCC4C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)[C@H]4CC=CC[C@@H]4C(=O)O

InChI

InChI=1S/C24H27N3O3/c28-23(21-8-4-5-9-22(21)24(29)30)25-18-10-12-20(13-11-18)27-16-14-26(15-17-27)19-6-2-1-3-7-19/h1-7,10-13,21-22H,8-9,14-17H2,(H,25,28)(H,29,30)/t21-,22-/m0/s1