1H-indol-3-yl 3-oxidanylidene-3-(5,6,7,8-tetrahydroisoquinolin-3-yl)propanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=CN=C(C=C2C1)C(=O)CC(=O)OC3=CNC4=CC=CC=C43

Isomeric SMILES

C1CCC2=CN=C(C=C2C1)C(=O)CC(=O)OC3=CNC4=CC=CC=C43

InChI

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