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

Systemtic Name: (phenylmethyl) 3-[[3-methoxy-5-(2-methylpropyl)-6-oxidanylidene-1H-pyrazin-2-yl]methyl]indole-1-carboxylate Openeye Name: benzyl 3-[(5-isobutyl-3-methoxy-6-oxo-1H-pyrazin-2-yl)methyl]indole-1-carboxylate CAS Name: 3-[[3-methoxy-5-(2-methylpropyl)-6-oxo-1H-pyrazin-2-yl]methyl]-1-indolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[[3-methoxy-5-(2-methylpropyl)-6-oxo-1H-pyrazin-2-yl]methyl]indole-1-carboxylate Traditional Name: 3-[(5-isobutyl-6-keto-3-methoxy-1H-pyrazin-2-yl)methyl]indole-1-carboxylic acid benzyl ester Formula: C26H27N3O4 MolecularWeight: 445.51028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC(=C(NC1=O)CC2=CN(C3=CC=CC=C32)C(=O)OCC4=CC=CC=C4)OC

Isomeric SMILES

CC(C)CC1=NC(=C(NC1=O)CC2=CN(C3=CC=CC=C32)C(=O)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C26H27N3O4/c1-17(2)13-21-24(30)27-22(25(28-21)32-3)14-19-15-29(23-12-8-7-11-20(19)23)26(31)33-16-18-9-5-4-6-10-18/h4-12,15,17H,13-14,16H2,1-3H3,(H,27,30)