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2-[3-[1-(2-methylcyclopropyl)butylamino]phenyl]carbonylpropanedioic acid

2-[3-[1-(2-methylcyclopropyl)butylamino]phenyl]carbonylpropanedioic acid

Systemtic Name:2-[3-[1-(2-methylcyclopropyl)butylamino]phenyl]carbonylpropanedioic acid
Openeye Name:2-[3-[1-(2-methylcyclopropyl)butylamino]benzoyl]propanedioic acid
CAS Name:2-[[3-[1-(2-methylcyclopropyl)butylamino]phenyl]-oxomethyl]propanedioic acid
IUPAC Name:2-[3-[1-(2-methylcyclopropyl)butylamino]benzoyl]propanedioic acid
Traditional Name:2-[3-[1-(2-methylcyclopropyl)butylamino]benzoyl]malonic acid
Formula: C18H23NO5
MolecularWeight: 333.37892
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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1CC1C)NC2=CC=CC(=C2)C(=O)C(C(=O)O)C(=O)O


Isomeric SMILES

CCCC(C1CC1C)NC2=CC=CC(=C2)C(=O)C(C(=O)O)C(=O)O


InChI

InChI=1S/C18H23NO5/c1-3-5-14(13-8-10(13)2)19-12-7-4-6-11(9-12)16(20)15(17(21)22)18(23)24/h4,6-7,9-10,13-15,19H,3,5,8H2,1-2H3,(H,21,22)(H,23,24)


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