(phenylmethyl) N-[(2S)-1-(1H-indol-3-yl)-3-oxidanylidene-5-phenyl-pent-4-yn-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-(1H-indol-3-yl)-3-oxidanylidene-5-phenyl-pent-4-yn-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-(1H-indol-3-ylmethyl)-2-oxo-4-phenyl-but-3-ynyl]carbamate CAS Name: N-[(2S)-1-(1H-indol-3-yl)-3-oxo-5-phenylpent-4-yn-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-(1H-indol-3-yl)-3-oxo-5-phenylpent-4-yn-2-yl]carbamate Traditional Name: N-[(1S)-1-(1H-indol-3-ylmethyl)-2-keto-4-phenyl-but-3-ynyl]carbamic acid benzyl ester Formula: C27H22N2O3 MolecularWeight: 422.47518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)C#CC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)C#CC4=CC=CC=C4

InChI

InChI=1S/C27H22N2O3/c30-26(16-15-20-9-3-1-4-10-20)25(17-22-18-28-24-14-8-7-13-23(22)24)29-27(31)32-19-21-11-5-2-6-12-21/h1-14,18,25,28H,17,19H2,(H,29,31)/t25-/m0/s1