methyl 1-[(2-methylphenyl)methyl]-3-(2-methylpropanoyl)-2-propyl-indole-6-carboxylate

Systemtic Name: methyl 1-[(2-methylphenyl)methyl]-3-(2-methylpropanoyl)-2-propyl-indole-6-carboxylate Openeye Name: methyl 3-(2-methylpropanoyl)-1-(o-tolylmethyl)-2-propyl-indole-6-carboxylate CAS Name: 3-(2-methyl-1-oxopropyl)-1-[(2-methylphenyl)methyl]-2-propyl-6-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[(2-methylphenyl)methyl]-3-(2-methylpropanoyl)-2-propylindole-6-carboxylate Traditional Name: 3-isobutyryl-1-(2-methylbenzyl)-2-propyl-indole-6-carboxylic acid methyl ester Formula: C25H29NO3 MolecularWeight: 391.50266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(N1CC3=CC=CC=C3C)C=C(C=C2)C(=O)OC)C(=O)C(C)C

Isomeric SMILES

CCCC1=C(C2=C(N1CC3=CC=CC=C3C)C=C(C=C2)C(=O)OC)C(=O)C(C)C

InChI

InChI=1S/C25H29NO3/c1-6-9-21-23(24(27)16(2)3)20-13-12-18(25(28)29-5)14-22(20)26(21)15-19-11-8-7-10-17(19)4/h7-8,10-14,16H,6,9,15H2,1-5H3