2-(2,5-dimethyl-1-quinazolin-4-yl-indol-3-yl)ethanoic acid

Systemtic Name: 2-(2,5-dimethyl-1-quinazolin-4-yl-indol-3-yl)ethanoic acid Openeye Name: 2-(2,5-dimethyl-1-quinazolin-4-yl-indol-3-yl)acetic acid CAS Name: 2-[2,5-dimethyl-1-(4-quinazolinyl)-3-indolyl]acetic acid IUPAC Name: 2-(2,5-dimethyl-1-quinazolin-4-ylindol-3-yl)acetic acid Traditional Name: 2-(2,5-dimethyl-1-quinazolin-4-yl-indol-3-yl)acetic acid Formula: C20H17N3O2 MolecularWeight: 331.36788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2CC(=O)O)C)C3=NC=NC4=CC=CC=C43

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2CC(=O)O)C)C3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C20H17N3O2/c1-12-7-8-18-16(9-12)15(10-19(24)25)13(2)23(18)20-14-5-3-4-6-17(14)21-11-22-20/h3-9,11H,10H2,1-2H3,(H,24,25)