pentyl 1-butyl-2-[[(E)-3-phenylprop-2-enoyl]amino]pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: pentyl 1-butyl-2-[[(E)-3-phenylprop-2-enoyl]amino]pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: pentyl 1-butyl-2-[[(E)-3-phenylprop-2-enoyl]amino]pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 1-butyl-2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid pentyl ester IUPAC Name: pentyl 1-butyl-2-[[(E)-3-phenylprop-2-enoyl]amino]pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 1-butyl-2-[[(E)-3-phenylacryloyl]amino]pyrrolo[3,2-b]quinoxaline-3-carboxylic acid amyl ester Formula: C29H32N4O3 MolecularWeight: 484.58938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CCCC)NC(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CCCC)NC(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C29H32N4O3/c1-3-5-12-20-36-29(35)25-26-28(31-23-16-11-10-15-22(23)30-26)33(19-6-4-2)27(25)32-24(34)18-17-21-13-8-7-9-14-21/h7-11,13-18H,3-6,12,19-20H2,1-2H3,(H,32,34)/b18-17+