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

Systemtic Name: (phenylmethyl) 2-[[2-(2-methylpropoxy)-2-oxidanylidene-ethyl]amino]but-3-ynoate Openeye Name: benzyl 2-[(2-isobutoxy-2-oxo-ethyl)amino]but-3-ynoate CAS Name: 2-[[2-(2-methylpropoxy)-2-oxoethyl]amino]-3-butynoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-(2-methylpropoxy)-2-oxoethyl]amino]but-3-ynoate Traditional Name: 2-[(2-isobutoxy-2-keto-ethyl)amino]but-3-ynoic acid benzyl ester Formula: C17H21NO4 MolecularWeight: 303.35294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO4/c1-4-15(18-10-16(19)21-11-13(2)3)17(20)22-12-14-8-6-5-7-9-14/h1,5-9,13,15,18H,10-12H2,2-3H3