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3-(isoquinolin-5-ylcarbamoyl)icosanoic acid

3-(isoquinolin-5-ylcarbamoyl)icosanoic acid

Systemtic Name:3-(isoquinolin-5-ylcarbamoyl)icosanoic acid
Openeye Name:3-(5-isoquinolylcarbamoyl)icosanoic acid
CAS Name:3-[(5-isoquinolinylamino)-oxomethyl]eicosanoic acid
IUPAC Name:3-(isoquinolin-5-ylcarbamoyl)icosanoic acid
Traditional Name:3-(5-isoquinolylcarbamoyl)arachidic acid
Formula: C30H46N2O3
MolecularWeight: 482.69784
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(CC(=O)O)C(=O)NC1=CC=CC2=C1C=CN=C2


Isomeric SMILES

CCCCCCCCCCCCCCCCCC(CC(=O)O)C(=O)NC1=CC=CC2=C1C=CN=C2


InChI

InChI=1S/C30H46N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-25(23-29(33)34)30(35)32-28-20-17-19-26-24-31-22-21-27(26)28/h17,19-22,24-25H,2-16,18,23H2,1H3,(H,32,35)(H,33,34)


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