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

Systemtic Name: 3-[4-[(3,5-dimethylphenyl)methoxy]-3-(1H-indol-5-yl)phenyl]propanoic acid Openeye Name: 3-[4-[(3,5-dimethylphenyl)methoxy]-3-(1H-indol-5-yl)phenyl]propanoic acid CAS Name: 3-[4-[(3,5-dimethylphenyl)methoxy]-3-(1H-indol-5-yl)phenyl]propanoic acid IUPAC Name: 3-[4-[(3,5-dimethylphenyl)methoxy]-3-(1H-indol-5-yl)phenyl]propanoic acid Traditional Name: 3-[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)CCC(=O)O)C3=CC4=C(C=C3)NC=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C26H25NO3/c1-17-11-18(2)13-20(12-17)16-30-25-7-3-19(4-8-26(28)29)14-23(25)21-5-6-24-22(15-21)9-10-27-24/h3,5-7,9-15,27H,4,8,16H2,1-2H3,(H,28,29)