(phenylmethyl) 3-[6-methoxy-4-methyl-2-(2-methylpropyl)-3-oxidanylidene-2H-pyrazin-1-yl]indole-1-carboxylate

Systemtic Name: (phenylmethyl) 3-[6-methoxy-4-methyl-2-(2-methylpropyl)-3-oxidanylidene-2H-pyrazin-1-yl]indole-1-carboxylate Openeye Name: benzyl 3-(2-isobutyl-6-methoxy-4-methyl-3-oxo-2H-pyrazin-1-yl)indole-1-carboxylate CAS Name: 3-[6-methoxy-4-methyl-2-(2-methylpropyl)-3-oxo-2H-pyrazin-1-yl]-1-indolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[6-methoxy-4-methyl-2-(2-methylpropyl)-3-oxo-2H-pyrazin-1-yl]indole-1-carboxylate Traditional Name: 3-(2-isobutyl-3-keto-6-methoxy-4-methyl-2H-pyrazin-1-yl)indole-1-carboxylic acid benzyl ester Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(=O)N(C=C(N1C2=CN(C3=CC=CC=C32)C(=O)OCC4=CC=CC=C4)OC)C

Isomeric SMILES

CC(C)CC1C(=O)N(C=C(N1C2=CN(C3=CC=CC=C32)C(=O)OCC4=CC=CC=C4)OC)C

InChI

InChI=1S/C26H29N3O4/c1-18(2)14-22-25(30)27(3)16-24(32-4)29(22)23-15-28(21-13-9-8-12-20(21)23)26(31)33-17-19-10-6-5-7-11-19/h5-13,15-16,18,22H,14,17H2,1-4H3