1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]indole-3-carboxylic acid

Systemtic Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]indole-3-carboxylic acid Openeye Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]indole-3-carboxylic acid CAS Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-indolecarboxylic acid IUPAC Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]indole-3-carboxylic acid Traditional Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]indole-3-carboxylic acid Formula: C20H18N2O3 MolecularWeight: 334.36852

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CN3C=C(C4=CC=CC=C43)C(=O)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CN3C=C(C4=CC=CC=C43)C(=O)O

InChI

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