4-[(E)-3-acridin-9-ylprop-2-enoyl]oxybutyl (E)-3-acridin-9-ylprop-2-enoate

Systemtic Name: 4-[(E)-3-acridin-9-ylprop-2-enoyl]oxybutyl (E)-3-acridin-9-ylprop-2-enoate Openeye Name: 4-[(E)-3-acridin-9-ylprop-2-enoyl]oxybutyl (E)-3-acridin-9-ylprop-2-enoate CAS Name: (E)-3-(9-acridinyl)-2-propenoic acid 4-[(E)-3-(9-acridinyl)-1-oxoprop-2-enoxy]butyl ester IUPAC Name: 4-[(E)-3-acridin-9-ylprop-2-enoyl]oxybutyl (E)-3-acridin-9-ylprop-2-enoate Traditional Name: (E)-3-acridin-9-ylacrylic acid 4-[(E)-3-acridin-9-ylacryloyl]oxybutyl ester Formula: C36H28N2O4 MolecularWeight: 552.61852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)C=CC(=O)OCCCCOC(=O)C=CC4=C5C=CC=CC5=NC6=CC=CC=C64

Isomeric SMILES

C1=CC=C2N=C3C(=C(C2=C1)/C=C/C(=O)OCCCCOC(=O)/C=C/C4=C5C(=NC6=CC=CC=C46)C=CC=C5)C=CC=C3

InChI

InChI=1S/C36H28N2O4/c39-35(21-19-25-27-11-1-5-15-31(27)37-32-16-6-2-12-28(25)32)41-23-9-10-24-42-36(40)22-20-26-29-13-3-7-17-33(29)38-34-18-8-4-14-30(26)34/h1-8,11-22H,9-10,23-24H2/b21-19+,22-20+