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

Systemtic Name: (phenylmethyl) 3-[[3,6-dimethoxy-5-(2-methylpropyl)pyrazin-2-yl]methyl]indole-1-carboxylate Openeye Name: benzyl 3-[(5-isobutyl-3,6-dimethoxy-pyrazin-2-yl)methyl]indole-1-carboxylate CAS Name: 3-[[3,6-dimethoxy-5-(2-methylpropyl)-2-pyrazinyl]methyl]-1-indolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[[3,6-dimethoxy-5-(2-methylpropyl)pyrazin-2-yl]methyl]indole-1-carboxylate Traditional Name: 3-[(5-isobutyl-3,6-dimethoxy-pyrazin-2-yl)methyl]indole-1-carboxylic acid benzyl ester Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O4/c1-18(2)14-22-25(32-3)29-23(26(28-22)33-4)15-20-16-30(24-13-9-8-12-21(20)24)27(31)34-17-19-10-6-5-7-11-19/h5-13,16,18H,14-15,17H2,1-4H3