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

Systemtic Name: (phenylmethyl) 3-[3,6-dimethoxy-5-methyl-2-(2-methylpropyl)-2H-pyrazin-1-yl]indole-1-carboxylate Openeye Name: benzyl 3-(2-isobutyl-3,6-dimethoxy-5-methyl-2H-pyrazin-1-yl)indole-1-carboxylate CAS Name: 3-[3,6-dimethoxy-5-methyl-2-(2-methylpropyl)-2H-pyrazin-1-yl]-1-indolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[3,6-dimethoxy-5-methyl-2-(2-methylpropyl)-2H-pyrazin-1-yl]indole-1-carboxylate Traditional Name: 3-(2-isobutyl-3,6-dimethoxy-5-methyl-2H-pyrazin-1-yl)indole-1-carboxylic acid benzyl ester Formula: C27H31N3O4 MolecularWeight: 461.55274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(C(=N1)OC)CC(C)C)C2=CN(C3=CC=CC=C32)C(=O)OCC4=CC=CC=C4)OC

Isomeric SMILES

CC1=C(N(C(C(=N1)OC)CC(C)C)C2=CN(C3=CC=CC=C32)C(=O)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C27H31N3O4/c1-18(2)15-23-25(32-4)28-19(3)26(33-5)30(23)24-16-29(22-14-10-9-13-21(22)24)27(31)34-17-20-11-7-6-8-12-20/h6-14,16,18,23H,15,17H2,1-5H3