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

Systemtic Name: methyl 1-(2-methylbutyl)-3-[[(phenylmethyl)amino]methyl]indole-5-carboxylate Openeye Name: methyl 3-[(benzylamino)methyl]-1-(2-methylbutyl)indole-5-carboxylate CAS Name: 1-(2-methylbutyl)-3-[[(phenylmethyl)amino]methyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-[(benzylamino)methyl]-1-(2-methylbutyl)indole-5-carboxylate Traditional Name: 3-[(benzylamino)methyl]-1-(2-methylbutyl)indole-5-carboxylic acid methyl ester Formula: C23H28N2O2 MolecularWeight: 364.48062

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNCC3=CC=CC=C3

Isomeric SMILES

CCC(C)CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNCC3=CC=CC=C3

InChI

InChI=1S/C23H28N2O2/c1-4-17(2)15-25-16-20(14-24-13-18-8-6-5-7-9-18)21-12-19(23(26)27-3)10-11-22(21)25/h5-12,16-17,24H,4,13-15H2,1-3H3