(4-methylpiperazin-1-yl)-(4-prop-2-enoxy-3,5-dipropyl-phenyl)methanone; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: (4-methylpiperazin-1-yl)-(4-prop-2-enoxy-3,5-dipropyl-phenyl)methanone; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: (4-allyloxy-3,5-dipropyl-phenyl)-(4-methylpiperazin-1-yl)methanone; citric acid CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; (4-methyl-1-piperazinyl)-(4-prop-2-enoxy-3,5-dipropylphenyl)methanone IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; (4-methylpiperazin-1-yl)-(4-prop-2-enoxy-3,5-dipropylphenyl)methanone Traditional Name: (4-allyloxy-3,5-dipropyl-phenyl)-(4-methylpiperazino)methanone; citric acid Formula: C27H40N2O9 MolecularWeight: 536.6145

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC(=C1OCC=C)CCC)C(=O)N2CCN(CC2)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCCC1=CC(=CC(=C1OCC=C)CCC)C(=O)N2CCN(CC2)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C21H32N2O2.C6H8O7/c1-5-8-17-15-19(21(24)23-12-10-22(4)11-13-23)16-18(9-6-2)20(17)25-14-7-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h7,15-16H,3,5-6,8-14H2,1-2,4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)