octyl 2-(3-iodanylprop-2-ynoxycarbonylamino)-3-phenyl-propanoate

Systemtic Name: octyl 2-(3-iodanylprop-2-ynoxycarbonylamino)-3-phenyl-propanoate Openeye Name: octyl 2-(3-iodoprop-2-ynoxycarbonylamino)-3-phenyl-propanoate CAS Name: 2-[[3-iodoprop-2-ynoxy(oxo)methyl]amino]-3-phenylpropanoic acid octyl ester IUPAC Name: octyl 2-(3-iodoprop-2-ynoxycarbonylamino)-3-phenylpropanoate Traditional Name: 2-(3-iodoprop-2-ynoxycarbonylamino)-3-phenyl-propionic acid octyl ester Formula: C21H28INO4 MolecularWeight: 485.35579

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C(CC1=CC=CC=C1)NC(=O)OCC#CI

Isomeric SMILES

CCCCCCCCOC(=O)C(CC1=CC=CC=C1)NC(=O)OCC#CI

InChI

InChI=1S/C21H28INO4/c1-2-3-4-5-6-10-15-26-20(24)19(17-18-12-8-7-9-13-18)23-21(25)27-16-11-14-22/h7-9,12-13,19H,2-6,10,15-17H2,1H3,(H,23,25)