1H-indol-3-yl 3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-oxidanylidene-propanoate

Systemtic Name: 1H-indol-3-yl 3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-oxidanylidene-propanoate Openeye Name: 1H-indol-3-yl 3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-oxo-propanoate CAS Name: 3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-oxopropanoic acid 1H-indol-3-yl ester IUPAC Name: 1H-indol-3-yl 3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-oxopropanoate Traditional Name: 3-keto-3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)propionic acid 1H-indol-3-yl ester Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C1)C=C(C=C2)C(=O)CC(=O)OC3=CNC4=CC=CC=C43

Isomeric SMILES

CN1CCC2=C(C1)C=C(C=C2)C(=O)CC(=O)OC3=CNC4=CC=CC=C43

InChI

InChI=1S/C21H20N2O3/c1-23-9-8-14-6-7-15(10-16(14)13-23)19(24)11-21(25)26-20-12-22-18-5-3-2-4-17(18)20/h2-7,10,12,22H,8-9,11,13H2,1H3