1-(4-chlorophenyl)carbonyl-2-methyl-3-(4-oxidanyl-4-oxidanylidene-butyl)indole-5-carboxylic acid

Systemtic Name: 1-(4-chlorophenyl)carbonyl-2-methyl-3-(4-oxidanyl-4-oxidanylidene-butyl)indole-5-carboxylic acid Openeye Name: 1-(4-chlorobenzoyl)-3-(4-hydroxy-4-oxo-butyl)-2-methyl-indole-5-carboxylic acid CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-3-(4-hydroxy-4-oxobutyl)-2-methyl-5-indolecarboxylic acid IUPAC Name: 1-(4-chlorobenzoyl)-3-(4-hydroxy-4-oxobutyl)-2-methylindole-5-carboxylic acid Traditional Name: 1-(4-chlorobenzoyl)-3-(4-hydroxy-4-keto-butyl)-2-methyl-indole-5-carboxylic acid Formula: C21H18ClNO5 MolecularWeight: 399.82432

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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)C(=O)O)CCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClNO5/c1-12-16(3-2-4-19(24)25)17-11-14(21(27)28)7-10-18(17)23(12)20(26)13-5-8-15(22)9-6-13/h5-11H,2-4H2,1H3,(H,24,25)(H,27,28)