3-(2-methylpropanoyl)-1-(naphthalen-2-ylmethyl)-2-propyl-indole-6-carboxylic acid

Systemtic Name: 3-(2-methylpropanoyl)-1-(naphthalen-2-ylmethyl)-2-propyl-indole-6-carboxylic acid Openeye Name: 3-(2-methylpropanoyl)-1-(2-naphthylmethyl)-2-propyl-indole-6-carboxylic acid CAS Name: 3-(2-methyl-1-oxopropyl)-1-(2-naphthalenylmethyl)-2-propyl-6-indolecarboxylic acid IUPAC Name: 3-(2-methylpropanoyl)-1-(naphthalen-2-ylmethyl)-2-propylindole-6-carboxylic acid Traditional Name: 3-isobutyryl-1-(2-naphthylmethyl)-2-propyl-indole-6-carboxylic acid Formula: C27H27NO3 MolecularWeight: 413.50818

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(N1CC3=CC4=CC=CC=C4C=C3)C=C(C=C2)C(=O)O)C(=O)C(C)C

Isomeric SMILES

CCCC1=C(C2=C(N1CC3=CC4=CC=CC=C4C=C3)C=C(C=C2)C(=O)O)C(=O)C(C)C

InChI

InChI=1S/C27H27NO3/c1-4-7-23-25(26(29)17(2)3)22-13-12-21(27(30)31)15-24(22)28(23)16-18-10-11-19-8-5-6-9-20(19)14-18/h5-6,8-15,17H,4,7,16H2,1-3H3,(H,30,31)