(phenylmethyl) 3-(1H-indol-3-yl)-2-(non-3-ynoxycarbonylamino)propanoate

Systemtic Name: (phenylmethyl) 3-(1H-indol-3-yl)-2-(non-3-ynoxycarbonylamino)propanoate Openeye Name: benzyl 3-(1H-indol-3-yl)-2-(non-3-ynoxycarbonylamino)propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[non-3-ynoxy(oxo)methyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(1H-indol-3-yl)-2-(non-3-ynoxycarbonylamino)propanoate Traditional Name: 3-(1H-indol-3-yl)-2-(non-3-ynoxycarbonylamino)propionic acid benzyl ester Formula: C28H32N2O4 MolecularWeight: 460.56468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32N2O4/c1-2-3-4-5-6-7-13-18-33-28(32)30-26(27(31)34-21-22-14-9-8-10-15-22)19-23-20-29-25-17-12-11-16-24(23)25/h8-12,14-17,20,26,29H,2-5,13,18-19,21H2,1H3,(H,30,32)