(E)-3-(isoquinolin-5-ylcarbamoyl)nonadec-5-enoic acid

Systemtic Name: (E)-3-(isoquinolin-5-ylcarbamoyl)nonadec-5-enoic acid Openeye Name: (E)-3-(5-isoquinolylcarbamoyl)nonadec-5-enoic acid CAS Name: (E)-3-[(5-isoquinolinylamino)-oxomethyl]-5-nonadecenoic acid IUPAC Name: (E)-3-(isoquinolin-5-ylcarbamoyl)nonadec-5-enoic acid Traditional Name: (E)-3-(5-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=CN=C2

Isomeric SMILES

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

InChI

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