2-[1-(7-chloranylquinazolin-4-yl)-2-methyl-5-phenylmethoxy-indol-3-yl]ethanoic acid

Systemtic Name: 2-[1-(7-chloranylquinazolin-4-yl)-2-methyl-5-phenylmethoxy-indol-3-yl]ethanoic acid Openeye Name: 2-[5-benzyloxy-1-(7-chloroquinazolin-4-yl)-2-methyl-indol-3-yl]acetic acid CAS Name: 2-[1-(7-chloro-4-quinazolinyl)-2-methyl-5-phenylmethoxy-3-indolyl]acetic acid IUPAC Name: 2-[1-(7-chloroquinazolin-4-yl)-2-methyl-5-phenylmethoxyindol-3-yl]acetic acid Traditional Name: 2-[5-benzoxy-1-(7-chloroquinazolin-4-yl)-2-methyl-indol-3-yl]acetic acid Formula: C26H20ClN3O3 MolecularWeight: 457.9083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C3=NC=NC4=C3C=CC(=C4)Cl)C=CC(=C2)OCC5=CC=CC=C5)CC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1C3=NC=NC4=C3C=CC(=C4)Cl)C=CC(=C2)OCC5=CC=CC=C5)CC(=O)O

InChI

InChI=1S/C26H20ClN3O3/c1-16-21(13-25(31)32)22-12-19(33-14-17-5-3-2-4-6-17)8-10-24(22)30(16)26-20-9-7-18(27)11-23(20)28-15-29-26/h2-12,15H,13-14H2,1H3,(H,31,32)