2-[4-(cyclohexen-1-yl)-3-(piperazin-1-ylcarbonylamino)phenyl]propanoic acid hydrochloride

Systemtic Name: 2-[4-(cyclohexen-1-yl)-3-(piperazin-1-ylcarbonylamino)phenyl]propanoic acid hydrochloride Openeye Name: 2-[4-(cyclohexen-1-yl)-3-(piperazine-1-carbonylamino)phenyl]propanoic acid hydrochloride CAS Name: 2-[4-(1-cyclohexenyl)-3-[[oxo(1-piperazinyl)methyl]amino]phenyl]propanoic acid hydrochloride IUPAC Name: 2-[4-(cyclohexen-1-yl)-3-(piperazine-1-carbonylamino)phenyl]propanoic acid hydrochloride Traditional Name: 2-[4-(cyclohexen-1-yl)-3-(piperazine-1-carbonylamino)phenyl]propionic acid hydrochloride Formula: C20H28ClN3O3 MolecularWeight: 393.90762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)C2=CCCCC2)NC(=O)N3CCNCC3)C(=O)O.Cl

Isomeric SMILES

CC(C1=CC(=C(C=C1)C2=CCCCC2)NC(=O)N3CCNCC3)C(=O)O.Cl

InChI

InChI=1S/C20H27N3O3.ClH/c1-14(19(24)25)16-7-8-17(15-5-3-2-4-6-15)18(13-16)22-20(26)23-11-9-21-10-12-23;/h5,7-8,13-14,21H,2-4,6,9-12H2,1H3,(H,22,26)(H,24,25);1H