2-[2-[1-acetyloxybut-3-yn-2-yl-(phenylmethyl)amino]ethyl-(phenylmethyl)amino]but-3-ynyl ethanoate

Systemtic Name: 2-[2-[1-acetyloxybut-3-yn-2-yl-(phenylmethyl)amino]ethyl-(phenylmethyl)amino]but-3-ynyl ethanoate Openeye Name: 2-[2-[1-(acetoxymethyl)prop-2-ynyl-benzyl-amino]ethyl-benzyl-amino]but-3-ynyl acetate CAS Name: acetic acid 2-[2-[1-acetyloxybut-3-yn-2-yl-(phenylmethyl)amino]ethyl-(phenylmethyl)amino]but-3-ynyl ester IUPAC Name: 2-[2-[1-acetyloxybut-3-yn-2-yl(benzyl)amino]ethyl-benzylamino]but-3-ynyl acetate Traditional Name: acetic acid 2-[2-[1-(acetoxymethyl)prop-2-ynyl-benzyl-amino]ethyl-benzyl-amino]but-3-ynyl ester Formula: C28H32N2O4 MolecularWeight: 460.56468

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C#C)N(CCN(CC1=CC=CC=C1)C(COC(=O)C)C#C)CC2=CC=CC=C2

Isomeric SMILES

CC(=O)OCC(C#C)N(CCN(CC1=CC=CC=C1)C(COC(=O)C)C#C)CC2=CC=CC=C2

InChI

InChI=1S/C28H32N2O4/c1-5-27(21-33-23(3)31)29(19-25-13-9-7-10-14-25)17-18-30(20-26-15-11-8-12-16-26)28(6-2)22-34-24(4)32/h1-2,7-16,27-28H,17-22H2,3-4H3