(phenylmethyl) N-[1-[(3-ethynylphenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[1-[(3-ethynylphenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate Openeye Name: benzyl N-[1-benzyl-2-(3-ethynylanilino)-2-oxo-ethyl]carbamate CAS Name: N-[1-(3-ethynylanilino)-1-oxo-3-phenylpropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-(3-ethynylanilino)-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[1-benzyl-2-(3-ethynylanilino)-2-keto-ethyl]carbamic acid benzyl ester Formula: C25H22N2O3 MolecularWeight: 398.45378

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H22N2O3/c1-2-19-14-9-15-22(16-19)26-24(28)23(17-20-10-5-3-6-11-20)27-25(29)30-18-21-12-7-4-8-13-21/h1,3-16,23H,17-18H2,(H,26,28)(H,27,29)