(Z)-but-2-enedioic acid; 2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-N-[(4-chlorophenyl)-phenyl-methyl]ethanamine

Systemtic Name: (Z)-but-2-enedioic acid; 2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-N-[(4-chlorophenyl)-phenyl-methyl]ethanamine Openeye Name: 2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-N-[(4-chlorophenyl)-phenyl-methyl]ethanamine; maleic acid CAS Name: (Z)-2-butenedioic acid; 2-[4-[(4-tert-butylphenyl)methyl]-1-piperazinyl]-N-[(4-chlorophenyl)-phenylmethyl]ethanamine IUPAC Name: (Z)-but-2-enedioic acid; 2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-N-[(4-chlorophenyl)-phenylmethyl]ethanamine Traditional Name: 2-[4-(4-tert-butylbenzyl)piperazino]ethyl-[(4-chlorophenyl)-phenyl-methyl]amine; maleic acid Formula: C38H46ClN3O8 MolecularWeight: 708.24014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)CCNC(C3=CC=CC=C3)C4=CC=C(C=C4)Cl.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)CN2CCN(CC2)CCNC(C3=CC=C(C=C3)Cl)C4=CC=CC=C4)(C)C.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C30H38ClN3.2C4H4O4/c1-30(2,3)27-13-9-24(10-14-27)23-34-21-19-33(20-22-34)18-17-32-29(25-7-5-4-6-8-25)26-11-15-28(31)16-12-26;2*5-3(6)1-2-4(7)8/h4-16,29,32H,17-23H2,1-3H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-