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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C1)C=C(C=C2)C(=O)C(C3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

CN1CCC2=C(C1)C=C(C=C2)C(=O)C(C3=CNC4=CC=CC=C43)C(=O)O

InChI

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