(Z)-3-(isoquinolin-8-ylcarbamoyl)nonadec-5-enoic acid

Systemtic Name: (Z)-3-(isoquinolin-8-ylcarbamoyl)nonadec-5-enoic acid Openeye Name: (Z)-3-(8-isoquinolylcarbamoyl)nonadec-5-enoic acid CAS Name: (Z)-3-[(8-isoquinolinylamino)-oxomethyl]-5-nonadecenoic acid IUPAC Name: (Z)-3-(isoquinolin-8-ylcarbamoyl)nonadec-5-enoic acid Traditional Name: (Z)-3-(8-isoquinolylcarbamoyl)nonadec-5-enoic acid Formula: C29H42N2O3 MolecularWeight: 466.65538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CCC(CC(=O)O)C(=O)NC1=CC=CC2=C1C=NC=C2

Isomeric SMILES

CCCCCCCCCCCCC/C=C\CC(CC(=O)O)C(=O)NC1=CC=CC2=C1C=NC=C2

InChI

InChI=1S/C29H42N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-25(22-28(32)33)29(34)31-27-19-16-18-24-20-21-30-23-26(24)27/h14-16,18-21,23,25H,2-13,17,22H2,1H3,(H,31,34)(H,32,33)/b15-14-