methyl 1-(4-methyl-2-propyl-pentyl)-3-[[(phenylmethyl)amino]methyl]indole-5-carboxylate

Systemtic Name: methyl 1-(4-methyl-2-propyl-pentyl)-3-[[(phenylmethyl)amino]methyl]indole-5-carboxylate Openeye Name: methyl 3-[(benzylamino)methyl]-1-(4-methyl-2-propyl-pentyl)indole-5-carboxylate CAS Name: 1-(4-methyl-2-propylpentyl)-3-[[(phenylmethyl)amino]methyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-[(benzylamino)methyl]-1-(4-methyl-2-propylpentyl)indole-5-carboxylate Traditional Name: 3-[(benzylamino)methyl]-1-(4-methyl-2-propyl-pentyl)indole-5-carboxylic acid methyl ester Formula: C27H36N2O2 MolecularWeight: 420.58694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N2O2/c1-5-9-22(14-20(2)3)18-29-19-24(17-28-16-21-10-7-6-8-11-21)25-15-23(27(30)31-4)12-13-26(25)29/h6-8,10-13,15,19-20,22,28H,5,9,14,16-18H2,1-4H3