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

Systemtic Name: (phenylmethyl) 3-[[3,6-diethoxy-5-(2-methylpropyl)pyrazin-2-yl]methyl]indole-1-carboxylate Openeye Name: benzyl 3-[(3,6-diethoxy-5-isobutyl-pyrazin-2-yl)methyl]indole-1-carboxylate CAS Name: 3-[[3,6-diethoxy-5-(2-methylpropyl)-2-pyrazinyl]methyl]-1-indolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[[3,6-diethoxy-5-(2-methylpropyl)pyrazin-2-yl]methyl]indole-1-carboxylate Traditional Name: 3-[(3,6-diethoxy-5-isobutyl-pyrazin-2-yl)methyl]indole-1-carboxylic acid benzyl ester Formula: C29H33N3O4 MolecularWeight: 487.59002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(N=C(C(=N1)CC(C)C)OCC)CC2=CN(C3=CC=CC=C32)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(N=C(C(=N1)CC(C)C)OCC)CC2=CN(C3=CC=CC=C32)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H33N3O4/c1-5-34-27-24(16-20(3)4)30-28(35-6-2)25(31-27)17-22-18-32(26-15-11-10-14-23(22)26)29(33)36-19-21-12-8-7-9-13-21/h7-15,18,20H,5-6,16-17,19H2,1-4H3