2-[4-[(3,5-dimethylphenyl)methoxy]-3-(1H-indol-5-yl)phenyl]propanoic acid

Systemtic Name: 2-[4-[(3,5-dimethylphenyl)methoxy]-3-(1H-indol-5-yl)phenyl]propanoic acid Openeye Name: 2-[4-[(3,5-dimethylphenyl)methoxy]-3-(1H-indol-5-yl)phenyl]propanoic acid CAS Name: 2-[4-[(3,5-dimethylphenyl)methoxy]-3-(1H-indol-5-yl)phenyl]propanoic acid IUPAC Name: 2-[4-[(3,5-dimethylphenyl)methoxy]-3-(1H-indol-5-yl)phenyl]propanoic acid Traditional Name: 2-[4-(3,5-dimethylbenzyl)oxy-3-(1H-indol-5-yl)phenyl]propionic acid Formula: C26H25NO3 MolecularWeight: 399.4816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)COC2=C(C=C(C=C2)C(C)C(=O)O)C3=CC4=C(C=C3)NC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)COC2=C(C=C(C=C2)C(C)C(=O)O)C3=CC4=C(C=C3)NC=C4)C

InChI

InChI=1S/C26H25NO3/c1-16-10-17(2)12-19(11-16)15-30-25-7-5-20(18(3)26(28)29)14-23(25)21-4-6-24-22(13-21)8-9-27-24/h4-14,18,27H,15H2,1-3H3,(H,28,29)