2,6-dimethyl-4-[3-(3-piperazin-1-ylpropylcarbamoylamino)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 2,6-dimethyl-4-[3-(3-piperazin-1-ylpropylcarbamoylamino)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2,6-dimethyl-4-[3-(3-piperazin-1-ylpropylcarbamoylamino)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2,6-dimethyl-4-[3-[[oxo-[3-(1-piperazinyl)propylamino]methyl]amino]phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2,6-dimethyl-4-[3-(3-piperazin-1-ylpropylcarbamoylamino)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2,6-dimethyl-4-[3-(3-piperazinopropylcarbamoylamino)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C23H31N5O5 MolecularWeight: 457.52274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)O)C2=CC(=CC=C2)NC(=O)NCCCN3CCNCC3)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)O)C2=CC(=CC=C2)NC(=O)NCCCN3CCNCC3)C(=O)O

InChI

InChI=1S/C23H31N5O5/c1-14-18(21(29)30)20(19(22(31)32)15(2)26-14)16-5-3-6-17(13-16)27-23(33)25-7-4-10-28-11-8-24-9-12-28/h3,5-6,13,20,24,26H,4,7-12H2,1-2H3,(H,29,30)(H,31,32)(H2,25,27,33)