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

Systemtic Name: methyl 3-[[(phenylmethyl)amino]methyl]-1-(2-phenylpropyl)indole-5-carboxylate Openeye Name: methyl 3-[(benzylamino)methyl]-1-(2-phenylpropyl)indole-5-carboxylate CAS Name: 3-[[(phenylmethyl)amino]methyl]-1-(2-phenylpropyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-[(benzylamino)methyl]-1-(2-phenylpropyl)indole-5-carboxylate Traditional Name: 3-[(benzylamino)methyl]-1-(2-phenylpropyl)indole-5-carboxylic acid methyl ester Formula: C27H28N2O2 MolecularWeight: 412.52342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H28N2O2/c1-20(22-11-7-4-8-12-22)18-29-19-24(17-28-16-21-9-5-3-6-10-21)25-15-23(27(30)31-2)13-14-26(25)29/h3-15,19-20,28H,16-18H2,1-2H3