methyl 3-(isoquinolin-5-ylcarbamoyl)icosanoate

Systemtic Name: methyl 3-(isoquinolin-5-ylcarbamoyl)icosanoate Openeye Name: methyl 3-(5-isoquinolylcarbamoyl)icosanoate CAS Name: 3-[(5-isoquinolinylamino)-oxomethyl]eicosanoic acid methyl ester IUPAC Name: methyl 3-(isoquinolin-5-ylcarbamoyl)icosanoate Traditional Name: 3-(5-isoquinolylcarbamoyl)arachidic acid methyl ester Formula: C31H48N2O3 MolecularWeight: 496.72442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H48N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-26(24-30(34)36-2)31(35)33-29-21-18-20-27-25-32-23-22-28(27)29/h18,20-23,25-26H,3-17,19,24H2,1-2H3,(H,33,35)