(phenylmethyl) 5-[2-[bis(2-methylpropyl)amino]ethyl]-2-methyl-1H-indole-3-carboxylate

Systemtic Name: (phenylmethyl) 5-[2-[bis(2-methylpropyl)amino]ethyl]-2-methyl-1H-indole-3-carboxylate Openeye Name: benzyl 5-[2-(diisobutylamino)ethyl]-2-methyl-1H-indole-3-carboxylate CAS Name: 5-[2-[bis(2-methylpropyl)amino]ethyl]-2-methyl-1H-indole-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[2-[bis(2-methylpropyl)amino]ethyl]-2-methyl-1H-indole-3-carboxylate Traditional Name: 5-[2-(diisobutylamino)ethyl]-2-methyl-1H-indole-3-carboxylic acid benzyl ester Formula: C27H36N2O2 MolecularWeight: 420.58694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)C=CC(=C2)CCN(CC(C)C)CC(C)C)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C2=C(N1)C=CC(=C2)CCN(CC(C)C)CC(C)C)C(=O)OCC3=CC=CC=C3

InChI

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