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

Systemtic Name: (phenylmethyl) 3-[3-methoxy-6-methyl-5-(2-methylpropyl)-2H-pyrazin-1-yl]indole-1-carboxylate Openeye Name: benzyl 3-(5-isobutyl-3-methoxy-6-methyl-2H-pyrazin-1-yl)indole-1-carboxylate CAS Name: 3-[3-methoxy-6-methyl-5-(2-methylpropyl)-2H-pyrazin-1-yl]-1-indolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[3-methoxy-6-methyl-5-(2-methylpropyl)-2H-pyrazin-1-yl]indole-1-carboxylate Traditional Name: 3-(5-isobutyl-3-methoxy-6-methyl-2H-pyrazin-1-yl)indole-1-carboxylic acid benzyl ester Formula: C26H29N3O3 MolecularWeight: 431.52676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(CN1C2=CN(C3=CC=CC=C32)C(=O)OCC4=CC=CC=C4)OC)CC(C)C

Isomeric SMILES

CC1=C(N=C(CN1C2=CN(C3=CC=CC=C32)C(=O)OCC4=CC=CC=C4)OC)CC(C)C

InChI

InChI=1S/C26H29N3O3/c1-18(2)14-22-19(3)28(16-25(27-22)31-4)24-15-29(23-13-9-8-12-21(23)24)26(30)32-17-20-10-6-5-7-11-20/h5-13,15,18H,14,16-17H2,1-4H3