3-(1-aminocarbonyl-4-isoquinolin-3-yl-cyclohexa-2,4-dien-1-yl)-2-azanyl-propanoic acid

Systemtic Name: 3-(1-aminocarbonyl-4-isoquinolin-3-yl-cyclohexa-2,4-dien-1-yl)-2-azanyl-propanoic acid Openeye Name: 2-amino-3-[1-carbamoyl-4-(3-isoquinolyl)cyclohexa-2,4-dien-1-yl]propanoic acid CAS Name: 2-amino-3-[1-carbamoyl-4-(3-isoquinolinyl)-1-cyclohexa-2,4-dienyl]propanoic acid IUPAC Name: 2-amino-3-(1-carbamoyl-4-isoquinolin-3-ylcyclohexa-2,4-dien-1-yl)propanoic acid Traditional Name: 2-amino-3-[1-carbamoyl-4-(3-isoquinolyl)cyclohexa-2,4-dien-1-yl]propionic acid Formula: C19H19N3O3 MolecularWeight: 337.37246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C=CC1(CC(C(=O)O)N)C(=O)N)C2=CC3=CC=CC=C3C=N2

Isomeric SMILES

C1C=C(C=CC1(CC(C(=O)O)N)C(=O)N)C2=CC3=CC=CC=C3C=N2

InChI

InChI=1S/C19H19N3O3/c20-15(17(23)24)10-19(18(21)25)7-5-12(6-8-19)16-9-13-3-1-2-4-14(13)11-22-16/h1-7,9,11,15H,8,10,20H2,(H2,21,25)(H,23,24)