methyl 1-(2-methyl-3-phenyl-propyl)-3-(phenylazanylmethyl)indole-5-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)CN2C=C(C3=C2C=CC(=C3)C(=O)OC)CNC4=CC=CC=C4

Isomeric SMILES

CC(CC1=CC=CC=C1)CN2C=C(C3=C2C=CC(=C3)C(=O)OC)CNC4=CC=CC=C4

InChI

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