[3-acetyloxy-2-methyl-2-(pyren-1-ylmethylamino)propyl] ethanoate

Systemtic Name: [3-acetyloxy-2-methyl-2-(pyren-1-ylmethylamino)propyl] ethanoate Openeye Name: [3-acetoxy-2-methyl-2-(pyren-1-ylmethylamino)propyl] acetate CAS Name: acetic acid [3-acetyloxy-2-methyl-2-(1-pyrenylmethylamino)propyl] ester IUPAC Name: [3-acetyloxy-2-methyl-2-(pyren-1-ylmethylamino)propyl] acetate Traditional Name: acetic acid [3-acetoxy-2-methyl-2-(pyren-1-ylmethylamino)propyl] ester Formula: C25H25NO4 MolecularWeight: 403.4703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25NO4/c1-16(27)29-14-25(3,15-30-17(2)28)26-13-21-10-9-20-8-7-18-5-4-6-19-11-12-22(21)24(20)23(18)19/h4-12,26H,13-15H2,1-3H3