2-[3-chloranyl-6-(4-methylpiperazin-1-yl)-2-(2-oxidanylideneethyl)-4-phenyl-phenyl]propanoate hydrochloride

Systemtic Name: 2-[3-chloranyl-6-(4-methylpiperazin-1-yl)-2-(2-oxidanylideneethyl)-4-phenyl-phenyl]propanoate hydrochloride Openeye Name: 2-[3-chloro-6-(4-methylpiperazin-1-yl)-2-(2-oxoethyl)-4-phenyl-phenyl]propanoate hydrochloride CAS Name: 2-[3-chloro-6-(4-methyl-1-piperazinyl)-2-(2-oxoethyl)-4-phenylphenyl]propanoate hydrochloride IUPAC Name: 2-[3-chloro-6-(4-methylpiperazin-1-yl)-2-(2-oxoethyl)-4-phenylphenyl]propanoate hydrochloride Traditional Name: 2-[3-chloro-2-(2-ketoethyl)-6-(4-methylpiperazino)-4-phenyl-phenyl]propionate hydrochloride Formula: C22H25Cl2N2O3- MolecularWeight: 436.3515

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=C(C(=C1CC=O)Cl)C2=CC=CC=C2)N3CCN(CC3)C)C(=O)[O-].Cl

Isomeric SMILES

CC(C1=C(C=C(C(=C1CC=O)Cl)C2=CC=CC=C2)N3CCN(CC3)C)C(=O)[O-].Cl

InChI

InChI=1S/C22H25ClN2O3.ClH/c1-15(22(27)28)20-17(8-13-26)21(23)18(16-6-4-3-5-7-16)14-19(20)25-11-9-24(2)10-12-25;/h3-7,13-15H,8-12H2,1-2H3,(H,27,28);1H/p-1