[2-(acetyloxymethyl)-2-(pyren-1-ylmethylamino)butyl] ethanoate

Systemtic Name: [2-(acetyloxymethyl)-2-(pyren-1-ylmethylamino)butyl] ethanoate Openeye Name: [2-(acetoxymethyl)-2-(pyren-1-ylmethylamino)butyl] acetate CAS Name: acetic acid [2-(acetyloxymethyl)-2-(1-pyrenylmethylamino)butyl] ester IUPAC Name: [2-(acetyloxymethyl)-2-(pyren-1-ylmethylamino)butyl] acetate Traditional Name: acetic acid [2-(acetoxymethyl)-2-(pyren-1-ylmethylamino)butyl] ester Formula: C26H27NO4 MolecularWeight: 417.49688

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC(=O)C)(COC(=O)C)NCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

Isomeric SMILES

CCC(COC(=O)C)(COC(=O)C)NCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

InChI

InChI=1S/C26H27NO4/c1-4-26(15-30-17(2)28,16-31-18(3)29)27-14-22-11-10-21-9-8-19-6-5-7-20-12-13-23(22)25(21)24(19)20/h5-13,27H,4,14-16H2,1-3H3