2-[5-methoxy-2-methyl-1-[4-(2-methyl-2-nitroso-propanoyl)phenyl]carbonyl-indol-3-yl]ethanoic acid

Systemtic Name: 2-[5-methoxy-2-methyl-1-[4-(2-methyl-2-nitroso-propanoyl)phenyl]carbonyl-indol-3-yl]ethanoic acid Openeye Name: 2-[5-methoxy-2-methyl-1-[4-(2-methyl-2-nitroso-propanoyl)benzoyl]indol-3-yl]acetic acid CAS Name: 2-[5-methoxy-2-methyl-1-[[4-(2-methyl-2-nitroso-1-oxopropyl)phenyl]-oxomethyl]-3-indolyl]acetic acid IUPAC Name: 2-[5-methoxy-2-methyl-1-[4-(2-methyl-2-nitrosopropanoyl)benzoyl]indol-3-yl]acetic acid Traditional Name: 2-[5-methoxy-2-methyl-1-[4-(2-methyl-2-nitroso-propanoyl)benzoyl]indol-3-yl]acetic acid Formula: C23H22N2O6 MolecularWeight: 422.43058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)C(=O)C(C)(C)N=O)C=CC(=C2)OC)CC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)C(=O)C(C)(C)N=O)C=CC(=C2)OC)CC(=O)O

InChI

InChI=1S/C23H22N2O6/c1-13-17(12-20(26)27)18-11-16(31-4)9-10-19(18)25(13)22(29)15-7-5-14(6-8-15)21(28)23(2,3)24-30/h5-11H,12H2,1-4H3,(H,26,27)