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

Systemtic Name: methyl 1-[(2-cyanophenyl)methyl]-3-(2-methylpropanoyl)-2-propyl-indole-6-carboxylate Openeye Name: methyl 1-[(2-cyanophenyl)methyl]-3-(2-methylpropanoyl)-2-propyl-indole-6-carboxylate CAS Name: 1-[(2-cyanophenyl)methyl]-3-(2-methyl-1-oxopropyl)-2-propyl-6-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[(2-cyanophenyl)methyl]-3-(2-methylpropanoyl)-2-propylindole-6-carboxylate Traditional Name: 1-(2-cyanobenzyl)-3-isobutyryl-2-propyl-indole-6-carboxylic acid methyl ester Formula: C25H26N2O3 MolecularWeight: 402.48554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O3/c1-5-8-21-23(24(28)16(2)3)20-12-11-17(25(29)30-4)13-22(20)27(21)15-19-10-7-6-9-18(19)14-26/h6-7,9-13,16H,5,8,15H2,1-4H3