2-(1H-indol-3-yl)-3-oxidanylidene-3-(5,6,7,8-tetrahydroisoquinolin-3-yl)propanoic acid

Systemtic Name: 2-(1H-indol-3-yl)-3-oxidanylidene-3-(5,6,7,8-tetrahydroisoquinolin-3-yl)propanoic acid Openeye Name: 2-(1H-indol-3-yl)-3-oxo-3-(5,6,7,8-tetrahydroisoquinolin-3-yl)propanoic acid CAS Name: 2-(1H-indol-3-yl)-3-oxo-3-(5,6,7,8-tetrahydroisoquinolin-3-yl)propanoic acid IUPAC Name: 2-(1H-indol-3-yl)-3-oxo-3-(5,6,7,8-tetrahydroisoquinolin-3-yl)propanoic acid Traditional Name: 2-(1H-indol-3-yl)-3-keto-3-(5,6,7,8-tetrahydroisoquinolin-3-yl)propionic acid Formula: C20H18N2O3 MolecularWeight: 334.36852

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=CN=C(C=C2C1)C(=O)C(C3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

C1CCC2=CN=C(C=C2C1)C(=O)C(C3=CNC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C20H18N2O3/c23-19(17-9-12-5-1-2-6-13(12)10-21-17)18(20(24)25)15-11-22-16-8-4-3-7-14(15)16/h3-4,7-11,18,22H,1-2,5-6H2,(H,24,25)