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

Systemtic Name: pentyl 2-[bis[(E)-3-phenylprop-2-enoyl]amino]-1-butyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: pentyl 2-[bis[(E)-3-phenylprop-2-enoyl]amino]-1-butyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-[bis[(E)-1-oxo-3-phenylprop-2-enyl]amino]-1-butyl-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid pentyl ester IUPAC Name: pentyl 2-[bis[(E)-3-phenylprop-2-enoyl]amino]-1-butylpyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-[bis[(E)-3-phenylacryloyl]amino]-1-butyl-pyrrolo[3,2-b]quinoxaline-3-carboxylic acid amyl ester Formula: C38H38N4O4 MolecularWeight: 614.73272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CCCC)N(C(=O)C=CC4=CC=CC=C4)C(=O)C=CC5=CC=CC=C5

Isomeric SMILES

CCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CCCC)N(C(=O)/C=C/C4=CC=CC=C4)C(=O)/C=C/C5=CC=CC=C5

InChI

InChI=1S/C38H38N4O4/c1-3-5-15-27-46-38(45)34-35-36(40-31-21-14-13-20-30(31)39-35)41(26-6-4-2)37(34)42(32(43)24-22-28-16-9-7-10-17-28)33(44)25-23-29-18-11-8-12-19-29/h7-14,16-25H,3-6,15,26-27H2,1-2H3/b24-22+,25-23+