2-(1H-indol-3-yl)-3-oxidanylidene-3-(1,2,3,4-tetrahydroquinolin-7-yl)propanoic acid

Systemtic Name: 2-(1H-indol-3-yl)-3-oxidanylidene-3-(1,2,3,4-tetrahydroquinolin-7-yl)propanoic acid Openeye Name: 2-(1H-indol-3-yl)-3-oxo-3-(1,2,3,4-tetrahydroquinolin-7-yl)propanoic acid CAS Name: 2-(1H-indol-3-yl)-3-oxo-3-(1,2,3,4-tetrahydroquinolin-7-yl)propanoic acid IUPAC Name: 2-(1H-indol-3-yl)-3-oxo-3-(1,2,3,4-tetrahydroquinolin-7-yl)propanoic acid Traditional Name: 2-(1H-indol-3-yl)-3-keto-3-(1,2,3,4-tetrahydroquinolin-7-yl)propionic acid Formula: C20H18N2O3 MolecularWeight: 334.36852

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C(C=C2)C(=O)C(C3=CNC4=CC=CC=C43)C(=O)O)NC1

Isomeric SMILES

C1CC2=C(C=C(C=C2)C(=O)C(C3=CNC4=CC=CC=C43)C(=O)O)NC1

InChI

InChI=1S/C20H18N2O3/c23-19(13-8-7-12-4-3-9-21-17(12)10-13)18(20(24)25)15-11-22-16-6-2-1-5-14(15)16/h1-2,5-8,10-11,18,21-22H,3-4,9H2,(H,24,25)