(phenylmethyl) 3-[3,6-diethoxy-5-methyl-2-(2-methylpropyl)-2H-pyrazin-1-yl]indole-1-carboxylate

Systemtic Name: (phenylmethyl) 3-[3,6-diethoxy-5-methyl-2-(2-methylpropyl)-2H-pyrazin-1-yl]indole-1-carboxylate Openeye Name: benzyl 3-(3,6-diethoxy-2-isobutyl-5-methyl-2H-pyrazin-1-yl)indole-1-carboxylate CAS Name: 3-[3,6-diethoxy-5-methyl-2-(2-methylpropyl)-2H-pyrazin-1-yl]-1-indolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[3,6-diethoxy-5-methyl-2-(2-methylpropyl)-2H-pyrazin-1-yl]indole-1-carboxylate Traditional Name: 3-(3,6-diethoxy-2-isobutyl-5-methyl-2H-pyrazin-1-yl)indole-1-carboxylic acid benzyl ester Formula: C29H35N3O4 MolecularWeight: 489.6059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=C(N(C1CC(C)C)C2=CN(C3=CC=CC=C32)C(=O)OCC4=CC=CC=C4)OCC)C

Isomeric SMILES

CCOC1=NC(=C(N(C1CC(C)C)C2=CN(C3=CC=CC=C32)C(=O)OCC4=CC=CC=C4)OCC)C

InChI

InChI=1S/C29H35N3O4/c1-6-34-27-25(17-20(3)4)32(28(35-7-2)21(5)30-27)26-18-31(24-16-12-11-15-23(24)26)29(33)36-19-22-13-9-8-10-14-22/h8-16,18,20,25H,6-7,17,19H2,1-5H3