1-[(2-chlorophenyl)methyl]-3-(2-methylpropanoyl)-2-(1-oxidanylpropyl)indole-6-carboxylic acid

Systemtic Name: 1-[(2-chlorophenyl)methyl]-3-(2-methylpropanoyl)-2-(1-oxidanylpropyl)indole-6-carboxylic acid Openeye Name: 1-[(2-chlorophenyl)methyl]-2-(1-hydroxypropyl)-3-(2-methylpropanoyl)indole-6-carboxylic acid CAS Name: 1-[(2-chlorophenyl)methyl]-2-(1-hydroxypropyl)-3-(2-methyl-1-oxopropyl)-6-indolecarboxylic acid IUPAC Name: 1-[(2-chlorophenyl)methyl]-2-(1-hydroxypropyl)-3-(2-methylpropanoyl)indole-6-carboxylic acid Traditional Name: 1-(2-chlorobenzyl)-2-(1-hydroxypropyl)-3-isobutyryl-indole-6-carboxylic acid Formula: C23H24ClNO4 MolecularWeight: 413.89396

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C2=C(N1CC3=CC=CC=C3Cl)C=C(C=C2)C(=O)O)C(=O)C(C)C)O

Isomeric SMILES

CCC(C1=C(C2=C(N1CC3=CC=CC=C3Cl)C=C(C=C2)C(=O)O)C(=O)C(C)C)O

InChI

InChI=1S/C23H24ClNO4/c1-4-19(26)21-20(22(27)13(2)3)16-10-9-14(23(28)29)11-18(16)25(21)12-15-7-5-6-8-17(15)24/h5-11,13,19,26H,4,12H2,1-3H3,(H,28,29)