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(Z)-but-2-enedioic acid; 3-(3-ethyl-1-methyl-azepan-3-yl)phenol

(Z)-but-2-enedioic acid; 3-(3-ethyl-1-methyl-azepan-3-yl)phenol

Systemtic Name:(Z)-but-2-enedioic acid; 3-(3-ethyl-1-methyl-azepan-3-yl)phenol
Openeye Name:3-(3-ethyl-1-methyl-azepan-3-yl)phenol; maleic acid
CAS Name:(Z)-2-butenedioic acid; 3-(3-ethyl-1-methyl-3-azepanyl)phenol
IUPAC Name:(Z)-but-2-enedioic acid; 3-(3-ethyl-1-methylazepan-3-yl)phenol
Traditional Name:3-(3-ethyl-1-methyl-azepan-3-yl)phenol; maleic acid
Formula: C34H50N2O6
MolecularWeight: 582.7706
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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCCN(C1)C)C2=CC(=CC=C2)O.CCC1(CCCCN(C1)C)C2=CC(=CC=C2)O.C(=CC(=O)O)C(=O)O


Isomeric SMILES

CCC1(CCCCN(C1)C)C2=CC(=CC=C2)O.CCC1(CCCCN(C1)C)C2=CC(=CC=C2)O.C(=C\C(=O)O)\C(=O)O


InChI

InChI=1S/2C15H23NO.C4H4O4/c2*1-3-15(9-4-5-10-16(2)12-15)13-7-6-8-14(17)11-13;5-3(6)1-2-4(7)8/h2*6-8,11,17H,3-5,9-10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;;2-1-


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