(phenylmethyl) 2-[(2-oxidanylidene-2-propan-2-yloxy-ethyl)amino]but-3-ynoate

Systemtic Name: (phenylmethyl) 2-[(2-oxidanylidene-2-propan-2-yloxy-ethyl)amino]but-3-ynoate Openeye Name: benzyl 2-[(2-isopropoxy-2-oxo-ethyl)amino]but-3-ynoate CAS Name: 2-[(2-oxo-2-propan-2-yloxyethyl)amino]-3-butynoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(2-oxo-2-propan-2-yloxyethyl)amino]but-3-ynoate Traditional Name: 2-[(2-isopropoxy-2-keto-ethyl)amino]but-3-ynoic acid benzyl ester Formula: C16H19NO4 MolecularWeight: 289.32636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CNC(C#C)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)OC(=O)CNC(C#C)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C16H19NO4/c1-4-14(17-10-15(18)21-12(2)3)16(19)20-11-13-8-6-5-7-9-13/h1,5-9,12,14,17H,10-11H2,2-3H3