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

Systemtic Name: (phenylmethyl) 3-[[6-acetyloxy-3-methoxy-5-(2-methylpropyl)pyrazin-2-yl]methyl]indole-1-carboxylate Openeye Name: benzyl 3-[(6-acetoxy-5-isobutyl-3-methoxy-pyrazin-2-yl)methyl]indole-1-carboxylate CAS Name: 3-[[6-acetyloxy-3-methoxy-5-(2-methylpropyl)-2-pyrazinyl]methyl]-1-indolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[[6-acetyloxy-3-methoxy-5-(2-methylpropyl)pyrazin-2-yl]methyl]indole-1-carboxylate Traditional Name: 3-[(6-acetoxy-5-isobutyl-3-methoxy-pyrazin-2-yl)methyl]indole-1-carboxylic acid benzyl ester Formula: C28H29N3O5 MolecularWeight: 487.54696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC(=C(N=C1OC(=O)C)CC2=CN(C3=CC=CC=C32)C(=O)OCC4=CC=CC=C4)OC

Isomeric SMILES

CC(C)CC1=NC(=C(N=C1OC(=O)C)CC2=CN(C3=CC=CC=C32)C(=O)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C28H29N3O5/c1-18(2)14-23-27(36-19(3)32)30-24(26(29-23)34-4)15-21-16-31(25-13-9-8-12-22(21)25)28(33)35-17-20-10-6-5-7-11-20/h5-13,16,18H,14-15,17H2,1-4H3