2-[2-methyl-1-[4-(2-pyrazol-1-ylethoxy)phenyl]carbonyl-indol-4-yl]ethanoic acid

Systemtic Name: 2-[2-methyl-1-[4-(2-pyrazol-1-ylethoxy)phenyl]carbonyl-indol-4-yl]ethanoic acid Openeye Name: 2-[2-methyl-1-[4-(2-pyrazol-1-ylethoxy)benzoyl]indol-4-yl]acetic acid CAS Name: 2-[2-methyl-1-[oxo-[4-[2-(1-pyrazolyl)ethoxy]phenyl]methyl]-4-indolyl]acetic acid IUPAC Name: 2-[2-methyl-1-[4-(2-pyrazol-1-ylethoxy)benzoyl]indol-4-yl]acetic acid Traditional Name: 2-[2-methyl-1-[4-(2-pyrazol-1-ylethoxy)benzoyl]indol-4-yl]acetic acid Formula: C23H21N3O4 MolecularWeight: 403.43054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=CC=C2N1C(=O)C3=CC=C(C=C3)OCCN4C=CC=N4)CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=CC=C2N1C(=O)C3=CC=C(C=C3)OCCN4C=CC=N4)CC(=O)O

InChI

InChI=1S/C23H21N3O4/c1-16-14-20-18(15-22(27)28)4-2-5-21(20)26(16)23(29)17-6-8-19(9-7-17)30-13-12-25-11-3-10-24-25/h2-11,14H,12-13,15H2,1H3,(H,27,28)