(E)-6-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]hex-5-enoic acid

Systemtic Name: (E)-6-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]hex-5-enoic acid Openeye Name: (E)-6-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]hex-5-enoic acid CAS Name: (E)-6-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]-5-hexenoic acid IUPAC Name: (E)-6-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]hex-5-enoic acid Traditional Name: (E)-6-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]hex-5-enoic acid Formula: C23H22ClNO4 MolecularWeight: 411.87808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)C=CCCCC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)/C=C/CCCC(=O)O

InChI

InChI=1S/C23H22ClNO4/c1-15-19(6-4-3-5-7-22(26)27)20-14-18(29-2)12-13-21(20)25(15)23(28)16-8-10-17(24)11-9-16/h4,6,8-14H,3,5,7H2,1-2H3,(H,26,27)/b6-4+