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

Systemtic Name: (phenylmethyl) 3-(1H-indol-3-yl)-2-(oct-3-ynoxycarbonylamino)propanoate Openeye Name: benzyl 3-(1H-indol-3-yl)-2-(oct-3-ynoxycarbonylamino)propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[oct-3-ynoxy(oxo)methyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(1H-indol-3-yl)-2-(oct-3-ynoxycarbonylamino)propanoate Traditional Name: 3-(1H-indol-3-yl)-2-(oct-3-ynoxycarbonylamino)propionic acid benzyl ester Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O4/c1-2-3-4-5-6-12-17-32-27(31)29-25(26(30)33-20-21-13-8-7-9-14-21)18-22-19-28-24-16-11-10-15-23(22)24/h7-11,13-16,19,25,28H,2-4,12,17-18,20H2,1H3,(H,29,31)