methyl 1-(2-methylbutyl)-3-[(2-methylpropylamino)methyl]indole-5-carboxylate

Systemtic Name: methyl 1-(2-methylbutyl)-3-[(2-methylpropylamino)methyl]indole-5-carboxylate Openeye Name: methyl 3-[(isobutylamino)methyl]-1-(2-methylbutyl)indole-5-carboxylate CAS Name: 1-(2-methylbutyl)-3-[(2-methylpropylamino)methyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-methylbutyl)-3-[(2-methylpropylamino)methyl]indole-5-carboxylate Traditional Name: 3-[(isobutylamino)methyl]-1-(2-methylbutyl)indole-5-carboxylic acid methyl ester Formula: C20H30N2O2 MolecularWeight: 330.4644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNCC(C)C

Isomeric SMILES

CCC(C)CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNCC(C)C

InChI

InChI=1S/C20H30N2O2/c1-6-15(4)12-22-13-17(11-21-10-14(2)3)18-9-16(20(23)24-5)7-8-19(18)22/h7-9,13-15,21H,6,10-12H2,1-5H3