3-[2-[2-(9-methylcarbazol-2-yl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid

Systemtic Name: 3-[2-[2-(9-methylcarbazol-2-yl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Openeye Name: 3-[2-[2-(9-methylcarbazol-2-yl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid CAS Name: 3-[2-[2-(9-methyl-2-carbazolyl)ethoxy]-4-(1-pyrazolylmethyl)phenyl]propanoic acid IUPAC Name: 3-[2-[2-(9-methylcarbazol-2-yl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Traditional Name: 3-[2-[2-(9-methylcarbazol-2-yl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propionic acid Formula: C28H27N3O3 MolecularWeight: 453.53228

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C3=C1C=C(C=C3)CCOC4=C(C=CC(=C4)CN5C=CC=N5)CCC(=O)O

Isomeric SMILES

CN1C2=CC=CC=C2C3=C1C=C(C=C3)CCOC4=C(C=CC(=C4)CN5C=CC=N5)CCC(=O)O

InChI

InChI=1S/C28H27N3O3/c1-30-25-6-3-2-5-23(25)24-11-8-20(17-26(24)30)13-16-34-27-18-21(19-31-15-4-14-29-31)7-9-22(27)10-12-28(32)33/h2-9,11,14-15,17-18H,10,12-13,16,19H2,1H3,(H,32,33)