butanoyl 4-azanylidene-4-butanoyloxy-butanoate; pyrene

Systemtic Name: butanoyl 4-azanylidene-4-butanoyloxy-butanoate; pyrene Openeye Name: butanoyl 4-butanoyloxy-4-imino-butanoate; pyrene CAS Name: 4-imino-4-(1-oxobutoxy)butanoic acid 1-oxobutyl ester; pyrene IUPAC Name: butanoyl 4-butanoyloxy-4-iminobutanoate; pyrene Traditional Name: 4-butyryloxy-4-imino-butyric acid butyryl ester; pyrene Formula: C28H29NO5 MolecularWeight: 459.53356

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC(=N)CCC(=O)OC(=O)CCC.C1=CC2=C3C(=C1)C=CC4=CC=CC(=C43)C=C2

Isomeric SMILES

CCCC(=O)OC(=N)CCC(=O)OC(=O)CCC.C1=CC2=C3C(=C1)C=CC4=CC=CC(=C43)C=C2

InChI

InChI=1S/C16H10.C12H19NO5/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;1-3-5-10(14)17-9(13)7-8-12(16)18-11(15)6-4-2/h1-10H;13H,3-8H2,1-2H3