(phenylmethyl) N-[3-(1H-indol-3-yl)-1-oxidanylidene-1-(prop-2-ynylamino)propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[3-(1H-indol-3-yl)-1-oxidanylidene-1-(prop-2-ynylamino)propan-2-yl]carbamate Openeye Name: benzyl N-[1-(1H-indol-3-ylmethyl)-2-oxo-2-(prop-2-ynylamino)ethyl]carbamate CAS Name: N-[3-(1H-indol-3-yl)-1-oxo-1-(prop-2-ynylamino)propan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[3-(1H-indol-3-yl)-1-oxo-1-(prop-2-ynylamino)propan-2-yl]carbamate Traditional Name: N-[1-(1H-indol-3-ylmethyl)-2-keto-2-(propargylamino)ethyl]carbamic acid benzyl ester Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C#CCNC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H21N3O3/c1-2-12-23-21(26)20(13-17-14-24-19-11-7-6-10-18(17)19)25-22(27)28-15-16-8-4-3-5-9-16/h1,3-11,14,20,24H,12-13,15H2,(H,23,26)(H,25,27)