3-[5-(3,4-dimethylphenyl)-5-methoxy-3-methyl-indol-2-yl]oxy-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[5-(3,4-dimethylphenyl)-5-methoxy-3-methyl-indol-2-yl]oxy-3-oxidanylidene-propanoic acid Openeye Name: 3-[5-(3,4-dimethylphenyl)-5-methoxy-3-methyl-indol-2-yl]oxy-3-oxo-propanoic acid CAS Name: 3-[[5-(3,4-dimethylphenyl)-5-methoxy-3-methyl-2-indolyl]oxy]-3-oxopropanoic acid IUPAC Name: 3-[5-(3,4-dimethylphenyl)-5-methoxy-3-methylindol-2-yl]oxy-3-oxopropanoic acid Traditional Name: 3-[5-(3,4-dimethylphenyl)-5-methoxy-3-methyl-indol-2-yl]oxy-3-keto-propionic acid Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2(C=CC3=NC(=C(C3=C2)C)OC(=O)CC(=O)O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2(C=CC3=NC(=C(C3=C2)C)OC(=O)CC(=O)O)OC)C

InChI

InChI=1S/C21H21NO5/c1-12-5-6-15(9-13(12)2)21(26-4)8-7-17-16(11-21)14(3)20(22-17)27-19(25)10-18(23)24/h5-9,11H,10H2,1-4H3,(H,23,24)