methyl 1-(2-phenylbutyl)-3-(propylaminomethyl)indole-5-carboxylate

Systemtic Name: methyl 1-(2-phenylbutyl)-3-(propylaminomethyl)indole-5-carboxylate Openeye Name: methyl 1-(2-phenylbutyl)-3-(propylaminomethyl)indole-5-carboxylate CAS Name: 1-(2-phenylbutyl)-3-(propylaminomethyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-phenylbutyl)-3-(propylaminomethyl)indole-5-carboxylate Traditional Name: 1-(2-phenylbutyl)-3-(propylaminomethyl)indole-5-carboxylic acid methyl ester Formula: C24H30N2O2 MolecularWeight: 378.5072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNCC1=CN(C2=C1C=C(C=C2)C(=O)OC)CC(CC)C3=CC=CC=C3

Isomeric SMILES

CCCNCC1=CN(C2=C1C=C(C=C2)C(=O)OC)CC(CC)C3=CC=CC=C3

InChI

InChI=1S/C24H30N2O2/c1-4-13-25-15-21-17-26(16-18(5-2)19-9-7-6-8-10-19)23-12-11-20(14-22(21)23)24(27)28-3/h6-12,14,17-18,25H,4-5,13,15-16H2,1-3H3