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

Systemtic Name: methyl 1-[(2-bromophenyl)methyl]-3-(2-methylpropanoyl)-2-propyl-indole-6-carboxylate Openeye Name: methyl 1-[(2-bromophenyl)methyl]-3-(2-methylpropanoyl)-2-propyl-indole-6-carboxylate CAS Name: 1-[(2-bromophenyl)methyl]-3-(2-methyl-1-oxopropyl)-2-propyl-6-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[(2-bromophenyl)methyl]-3-(2-methylpropanoyl)-2-propylindole-6-carboxylate Traditional Name: 1-(2-bromobenzyl)-3-isobutyryl-2-propyl-indole-6-carboxylic acid methyl ester Formula: C24H26BrNO3 MolecularWeight: 456.37214

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(N1CC3=CC=CC=C3Br)C=C(C=C2)C(=O)OC)C(=O)C(C)C

Isomeric SMILES

CCCC1=C(C2=C(N1CC3=CC=CC=C3Br)C=C(C=C2)C(=O)OC)C(=O)C(C)C

InChI

InChI=1S/C24H26BrNO3/c1-5-8-20-22(23(27)15(2)3)18-12-11-16(24(28)29-4)13-21(18)26(20)14-17-9-6-7-10-19(17)25/h6-7,9-13,15H,5,8,14H2,1-4H3