1-[(2-methoxyphenyl)methyl]-3-(2-methylpropanoyl)-2-propyl-indole-6-carboxylic acid

Systemtic Name: 1-[(2-methoxyphenyl)methyl]-3-(2-methylpropanoyl)-2-propyl-indole-6-carboxylic acid Openeye Name: 1-[(2-methoxyphenyl)methyl]-3-(2-methylpropanoyl)-2-propyl-indole-6-carboxylic acid CAS Name: 1-[(2-methoxyphenyl)methyl]-3-(2-methyl-1-oxopropyl)-2-propyl-6-indolecarboxylic acid IUPAC Name: 1-[(2-methoxyphenyl)methyl]-3-(2-methylpropanoyl)-2-propylindole-6-carboxylic acid Traditional Name: 3-isobutyryl-1-o-anisyl-2-propyl-indole-6-carboxylic acid Formula: C24H27NO4 MolecularWeight: 393.47548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(N1CC3=CC=CC=C3OC)C=C(C=C2)C(=O)O)C(=O)C(C)C

Isomeric SMILES

CCCC1=C(C2=C(N1CC3=CC=CC=C3OC)C=C(C=C2)C(=O)O)C(=O)C(C)C

InChI

InChI=1S/C24H27NO4/c1-5-8-19-22(23(26)15(2)3)18-12-11-16(24(27)28)13-20(18)25(19)14-17-9-6-7-10-21(17)29-4/h6-7,9-13,15H,5,8,14H2,1-4H3,(H,27,28)