2-[2-[[3-cyano-4-(2,2-dimethylpropoxy)phenyl]carbamoyl]indol-1-yl]ethanoic acid

Systemtic Name: 2-[2-[[3-cyano-4-(2,2-dimethylpropoxy)phenyl]carbamoyl]indol-1-yl]ethanoic acid Openeye Name: 2-[2-[[3-cyano-4-(2,2-dimethylpropoxy)phenyl]carbamoyl]indol-1-yl]acetic acid CAS Name: 2-[2-[[3-cyano-4-(2,2-dimethylpropoxy)anilino]-oxomethyl]-1-indolyl]acetic acid IUPAC Name: 2-[2-[[3-cyano-4-(2,2-dimethylpropoxy)phenyl]carbamoyl]indol-1-yl]acetic acid Traditional Name: 2-[2-[(3-cyano-4-neopentyloxy-phenyl)carbamoyl]indol-1-yl]acetic acid Formula: C23H23N3O4 MolecularWeight: 405.44642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC1=C(C=C(C=C1)NC(=O)C2=CC3=CC=CC=C3N2CC(=O)O)C#N

Isomeric SMILES

CC(C)(C)COC1=C(C=C(C=C1)NC(=O)C2=CC3=CC=CC=C3N2CC(=O)O)C#N

InChI

InChI=1S/C23H23N3O4/c1-23(2,3)14-30-20-9-8-17(10-16(20)12-24)25-22(29)19-11-15-6-4-5-7-18(15)26(19)13-21(27)28/h4-11H,13-14H2,1-3H3,(H,25,29)(H,27,28)