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

Systemtic Name: methyl 1-[4-methyl-2-(2-methylpropyl)pentyl]-3-[[(phenylmethyl)amino]methyl]indole-5-carboxylate Openeye Name: methyl 3-[(benzylamino)methyl]-1-(2-isobutyl-4-methyl-pentyl)indole-5-carboxylate CAS Name: 1-[4-methyl-2-(2-methylpropyl)pentyl]-3-[[(phenylmethyl)amino]methyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-[(benzylamino)methyl]-1-[4-methyl-2-(2-methylpropyl)pentyl]indole-5-carboxylate Traditional Name: 3-[(benzylamino)methyl]-1-(2-isobutyl-4-methyl-pentyl)indole-5-carboxylic acid methyl ester Formula: C28H38N2O2 MolecularWeight: 434.61352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H38N2O2/c1-20(2)13-23(14-21(3)4)18-30-19-25(17-29-16-22-9-7-6-8-10-22)26-15-24(28(31)32-5)11-12-27(26)30/h6-12,15,19-21,23,29H,13-14,16-18H2,1-5H3