2-[[3-[(isoquinolin-3-ylcarbonylamino)methyl]-4-methoxy-phenyl]methyl]butanoic acid

Systemtic Name: 2-[[3-[(isoquinolin-3-ylcarbonylamino)methyl]-4-methoxy-phenyl]methyl]butanoic acid Openeye Name: 2-[[3-[(isoquinoline-3-carbonylamino)methyl]-4-methoxy-phenyl]methyl]butanoic acid CAS Name: 2-[[3-[[[3-isoquinolinyl(oxo)methyl]amino]methyl]-4-methoxyphenyl]methyl]butanoic acid IUPAC Name: 2-[[3-[(isoquinoline-3-carbonylamino)methyl]-4-methoxyphenyl]methyl]butanoic acid Traditional Name: 2-[3-[(isoquinoline-3-carbonylamino)methyl]-4-methoxy-benzyl]butyric acid Formula: C23H24N2O4 MolecularWeight: 392.44766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC(=C(C=C1)OC)CNC(=O)C2=CC3=CC=CC=C3C=N2)C(=O)O

Isomeric SMILES

CCC(CC1=CC(=C(C=C1)OC)CNC(=O)C2=CC3=CC=CC=C3C=N2)C(=O)O

InChI

InChI=1S/C23H24N2O4/c1-3-16(23(27)28)10-15-8-9-21(29-2)19(11-15)14-25-22(26)20-12-17-6-4-5-7-18(17)13-24-20/h4-9,11-13,16H,3,10,14H2,1-2H3,(H,25,26)(H,27,28)