2-(3-isoquinolin-1-yl-2,5-dimethyl-indol-1-yl)ethanoic acid

Systemtic Name: 2-(3-isoquinolin-1-yl-2,5-dimethyl-indol-1-yl)ethanoic acid Openeye Name: 2-[3-(1-isoquinolyl)-2,5-dimethyl-indol-1-yl]acetic acid CAS Name: 2-[3-(1-isoquinolinyl)-2,5-dimethyl-1-indolyl]acetic acid IUPAC Name: 2-(3-isoquinolin-1-yl-2,5-dimethylindol-1-yl)acetic acid Traditional Name: 2-[3-(1-isoquinolyl)-2,5-dimethyl-indol-1-yl]acetic acid Formula: C21H18N2O2 MolecularWeight: 330.37982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2C3=NC=CC4=CC=CC=C43)C)CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2C3=NC=CC4=CC=CC=C43)C)CC(=O)O

InChI

InChI=1S/C21H18N2O2/c1-13-7-8-18-17(11-13)20(14(2)23(18)12-19(24)25)21-16-6-4-3-5-15(16)9-10-22-21/h3-11H,12H2,1-2H3,(H,24,25)