2-methyl-1-(phenylmethyl)-4,5,6,7-tetrahydroindole-3-carboxylate

Systemtic Name: 2-methyl-1-(phenylmethyl)-4,5,6,7-tetrahydroindole-3-carboxylate Openeye Name: 1-benzyl-2-methyl-4,5,6,7-tetrahydroindole-3-carboxylate CAS Name: 2-methyl-1-(phenylmethyl)-4,5,6,7-tetrahydroindole-3-carboxylate IUPAC Name: 1-benzyl-2-methyl-4,5,6,7-tetrahydroindole-3-carboxylate Traditional Name: 1-benzyl-2-methyl-4,5,6,7-tetrahydroindole-3-carboxylate Formula: C17H18NO2- MolecularWeight: 268.33032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=CC=C3)CCCC2)C(=O)[O-]

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=CC=C3)CCCC2)C(=O)[O-]

InChI

InChI=1S/C17H19NO2/c1-12-16(17(19)20)14-9-5-6-10-15(14)18(12)11-13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-11H2,1H3,(H,19,20)/p-1