methyl 3-(2-methylpropanoyl)-2-propyl-1-(pyridin-3-ylmethyl)indole-6-carboxylate

Systemtic Name: methyl 3-(2-methylpropanoyl)-2-propyl-1-(pyridin-3-ylmethyl)indole-6-carboxylate Openeye Name: methyl 3-(2-methylpropanoyl)-2-propyl-1-(3-pyridylmethyl)indole-6-carboxylate CAS Name: 3-(2-methyl-1-oxopropyl)-2-propyl-1-(3-pyridinylmethyl)-6-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-(2-methylpropanoyl)-2-propyl-1-(pyridin-3-ylmethyl)indole-6-carboxylate Traditional Name: 3-isobutyryl-2-propyl-1-(3-pyridylmethyl)indole-6-carboxylic acid methyl ester Formula: C23H26N2O3 MolecularWeight: 378.46414

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(N1CC3=CN=CC=C3)C=C(C=C2)C(=O)OC)C(=O)C(C)C

Isomeric SMILES

CCCC1=C(C2=C(N1CC3=CN=CC=C3)C=C(C=C2)C(=O)OC)C(=O)C(C)C

InChI

InChI=1S/C23H26N2O3/c1-5-7-19-21(22(26)15(2)3)18-10-9-17(23(27)28-4)12-20(18)25(19)14-16-8-6-11-24-13-16/h6,8-13,15H,5,7,14H2,1-4H3