methyl 1-(2-ethyl-4-methyl-pentyl)-3-(phenylazanylmethyl)indole-5-carboxylate

Systemtic Name: methyl 1-(2-ethyl-4-methyl-pentyl)-3-(phenylazanylmethyl)indole-5-carboxylate Openeye Name: methyl 3-(anilinomethyl)-1-(2-ethyl-4-methyl-pentyl)indole-5-carboxylate CAS Name: 3-(anilinomethyl)-1-(2-ethyl-4-methylpentyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-(anilinomethyl)-1-(2-ethyl-4-methylpentyl)indole-5-carboxylate Traditional Name: 3-(anilinomethyl)-1-(2-ethyl-4-methyl-pentyl)indole-5-carboxylic acid methyl ester Formula: C25H32N2O2 MolecularWeight: 392.53378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O2/c1-5-19(13-18(2)3)16-27-17-21(15-26-22-9-7-6-8-10-22)23-14-20(25(28)29-4)11-12-24(23)27/h6-12,14,17-19,26H,5,13,15-16H2,1-4H3