ethanedioic acid; [4-(3-methylcyclohexyl)piperazin-1-yl]-(4-phenylphenyl)methanone

Systemtic Name: ethanedioic acid; [4-(3-methylcyclohexyl)piperazin-1-yl]-(4-phenylphenyl)methanone Openeye Name: [4-(3-methylcyclohexyl)piperazin-1-yl]-(4-phenylphenyl)methanone; oxalic acid CAS Name: [4-(3-methylcyclohexyl)-1-piperazinyl]-(4-phenylphenyl)methanone; oxalic acid IUPAC Name: [4-(3-methylcyclohexyl)piperazin-1-yl]-(4-phenylphenyl)methanone; oxalic acid Traditional Name: [4-(3-methylcyclohexyl)piperazino]-(4-phenylphenyl)methanone; oxalic acid Formula: C26H32N2O5 MolecularWeight: 452.54268

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCCC(C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H30N2O.C2H2O4/c1-19-6-5-9-23(18-19)25-14-16-26(17-15-25)24(27)22-12-10-21(11-13-22)20-7-3-2-4-8-20;3-1(4)2(5)6/h2-4,7-8,10-13,19,23H,5-6,9,14-18H2,1H3;(H,3,4)(H,5,6)