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

Systemtic Name: methyl 3-(phenylazanylmethyl)-1-(2-phenylbutyl)indole-5-carboxylate Openeye Name: methyl 3-(anilinomethyl)-1-(2-phenylbutyl)indole-5-carboxylate CAS Name: 3-(anilinomethyl)-1-(2-phenylbutyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-(anilinomethyl)-1-(2-phenylbutyl)indole-5-carboxylate Traditional Name: 3-(anilinomethyl)-1-(2-phenylbutyl)indole-5-carboxylic acid methyl ester Formula: C27H28N2O2 MolecularWeight: 412.52342

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCC(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H28N2O2/c1-3-20(21-10-6-4-7-11-21)18-29-19-23(17-28-24-12-8-5-9-13-24)25-16-22(27(30)31-2)14-15-26(25)29/h4-16,19-20,28H,3,17-18H2,1-2H3