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(Z)-but-2-enedioic acid; ethyl 4-[(3-chlorophenyl)methyl]piperazine-1-carboxylate

(Z)-but-2-enedioic acid; ethyl 4-[(3-chlorophenyl)methyl]piperazine-1-carboxylate

Systemtic Name:(Z)-but-2-enedioic acid; ethyl 4-[(3-chlorophenyl)methyl]piperazine-1-carboxylate
Openeye Name:ethyl 4-[(3-chlorophenyl)methyl]piperazine-1-carboxylate; maleic acid
CAS Name:(Z)-2-butenedioic acid; 4-[(3-chlorophenyl)methyl]-1-piperazinecarboxylic acid ethyl ester
IUPAC Name:(Z)-but-2-enedioic acid; ethyl 4-[(3-chlorophenyl)methyl]piperazine-1-carboxylate
Traditional Name:4-(3-chlorobenzyl)piperazine-1-carboxylic acid ethyl ester; maleic acid
Formula: C18H23ClN2O6
MolecularWeight: 398.83802
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC2=CC(=CC=C2)Cl.C(=CC(=O)O)C(=O)O


Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=CC(=CC=C2)Cl.C(=C\C(=O)O)\C(=O)O


InChI

InChI=1S/C14H19ClN2O2.C4H4O4/c1-2-19-14(18)17-8-6-16(7-9-17)11-12-4-3-5-13(15)10-12;5-3(6)1-2-4(7)8/h3-5,10H,2,6-9,11H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-


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