2-azanyl-3-[4-[[3-(4-methoxyphenyl)sulfonyl-1H-indol-5-yl]oxy]-3,5-dimethyl-phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[4-[[3-(4-methoxyphenyl)sulfonyl-1H-indol-5-yl]oxy]-3,5-dimethyl-phenyl]propanoic acid Openeye Name: 2-amino-3-[4-[[3-(4-methoxyphenyl)sulfonyl-1H-indol-5-yl]oxy]-3,5-dimethyl-phenyl]propanoic acid CAS Name: 2-amino-3-[4-[[3-(4-methoxyphenyl)sulfonyl-1H-indol-5-yl]oxy]-3,5-dimethylphenyl]propanoic acid IUPAC Name: 2-amino-3-[4-[[3-(4-methoxyphenyl)sulfonyl-1H-indol-5-yl]oxy]-3,5-dimethylphenyl]propanoic acid Traditional Name: 2-amino-3-[4-[[3-(4-methoxyphenyl)sulfonyl-1H-indol-5-yl]oxy]-3,5-dimethyl-phenyl]propionic acid Formula: C26H26N2O6S MolecularWeight: 494.55944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC3=C(C=C2)NC=C3S(=O)(=O)C4=CC=C(C=C4)OC)C)CC(C(=O)O)N

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC3=C(C=C2)NC=C3S(=O)(=O)C4=CC=C(C=C4)OC)C)CC(C(=O)O)N

InChI

InChI=1S/C26H26N2O6S/c1-15-10-17(12-22(27)26(29)30)11-16(2)25(15)34-19-6-9-23-21(13-19)24(14-28-23)35(31,32)20-7-4-18(33-3)5-8-20/h4-11,13-14,22,28H,12,27H2,1-3H3,(H,29,30)