(phenylmethyl) 5-[4-(diethylamino)-4-oxidanylidene-butoxy]-2-methyl-1H-indole-3-carboxylate

Systemtic Name: (phenylmethyl) 5-[4-(diethylamino)-4-oxidanylidene-butoxy]-2-methyl-1H-indole-3-carboxylate Openeye Name: benzyl 5-[4-(diethylamino)-4-oxo-butoxy]-2-methyl-1H-indole-3-carboxylate CAS Name: 5-[4-(diethylamino)-4-oxobutoxy]-2-methyl-1H-indole-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[4-(diethylamino)-4-oxobutoxy]-2-methyl-1H-indole-3-carboxylate Traditional Name: 5-[4-(diethylamino)-4-keto-butoxy]-2-methyl-1H-indole-3-carboxylic acid benzyl ester Formula: C25H30N2O4 MolecularWeight: 422.5167

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CCCOC1=CC2=C(C=C1)NC(=C2C(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CCN(CC)C(=O)CCCOC1=CC2=C(C=C1)NC(=C2C(=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C25H30N2O4/c1-4-27(5-2)23(28)12-9-15-30-20-13-14-22-21(16-20)24(18(3)26-22)25(29)31-17-19-10-7-6-8-11-19/h6-8,10-11,13-14,16,26H,4-5,9,12,15,17H2,1-3H3