methyl 1-[(2-chlorophenyl)methyl]-3-(3-methylbutanoyl)-2-propyl-indole-6-carboxylate

Systemtic Name: methyl 1-[(2-chlorophenyl)methyl]-3-(3-methylbutanoyl)-2-propyl-indole-6-carboxylate Openeye Name: methyl 1-[(2-chlorophenyl)methyl]-3-(3-methylbutanoyl)-2-propyl-indole-6-carboxylate CAS Name: 1-[(2-chlorophenyl)methyl]-3-(3-methyl-1-oxobutyl)-2-propyl-6-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[(2-chlorophenyl)methyl]-3-(3-methylbutanoyl)-2-propylindole-6-carboxylate Traditional Name: 1-(2-chlorobenzyl)-3-isovaleryl-2-propyl-indole-6-carboxylic acid methyl ester Formula: C25H28ClNO3 MolecularWeight: 425.94772

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(N1CC3=CC=CC=C3Cl)C=C(C=C2)C(=O)OC)C(=O)CC(C)C

Isomeric SMILES

CCCC1=C(C2=C(N1CC3=CC=CC=C3Cl)C=C(C=C2)C(=O)OC)C(=O)CC(C)C

InChI

InChI=1S/C25H28ClNO3/c1-5-8-21-24(23(28)13-16(2)3)19-12-11-17(25(29)30-4)14-22(19)27(21)15-18-9-6-7-10-20(18)26/h6-7,9-12,14,16H,5,8,13,15H2,1-4H3