2-[2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoyl]propanedioic acid; ethane

Systemtic Name: 2-[2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoyl]propanedioic acid; ethane Openeye Name: 2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetyl]propanedioic acid; ethane CAS Name: 2-[2-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]-1-oxoethyl]propanedioic acid; ethane IUPAC Name: 2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]propanedioic acid; ethane Traditional Name: 2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetyl]malonic acid; ethane Formula: C26H30ClNO7 MolecularWeight: 503.9719

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClNO7.2C2H6/c1-11-15(10-18(25)19(21(27)28)22(29)30)16-9-14(31-2)7-8-17(16)24(11)20(26)12-3-5-13(23)6-4-12;2*1-2/h3-9,19H,10H2,1-2H3,(H,27,28)(H,29,30);2*1-2H3