(phenylmethyl) (2R)-2-[[(Z)-2-iodanylbut-2-enyl]amino]-3-(4-methoxy-1H-indol-3-yl)propanoate

Systemtic Name: (phenylmethyl) (2R)-2-[[(Z)-2-iodanylbut-2-enyl]amino]-3-(4-methoxy-1H-indol-3-yl)propanoate Openeye Name: benzyl (2R)-2-[[(Z)-2-iodobut-2-enyl]amino]-3-(4-methoxy-1H-indol-3-yl)propanoate CAS Name: (2R)-2-[[(Z)-2-iodobut-2-enyl]amino]-3-(4-methoxy-1H-indol-3-yl)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2R)-2-[[(Z)-2-iodobut-2-enyl]amino]-3-(4-methoxy-1H-indol-3-yl)propanoate Traditional Name: (2R)-2-[[(Z)-2-iodobut-2-enyl]amino]-3-(4-methoxy-1H-indol-3-yl)propionic acid benzyl ester Formula: C23H25IN2O3 MolecularWeight: 504.36067

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(CNC(CC1=CNC2=C1C(=CC=C2)OC)C(=O)OCC3=CC=CC=C3)I

Isomeric SMILES

C/C=C(/CN[C@H](CC1=CNC2=C1C(=CC=C2)OC)C(=O)OCC3=CC=CC=C3)\I

InChI

InChI=1S/C23H25IN2O3/c1-3-18(24)14-26-20(23(27)29-15-16-8-5-4-6-9-16)12-17-13-25-19-10-7-11-21(28-2)22(17)19/h3-11,13,20,25-26H,12,14-15H2,1-2H3/b18-3-/t20-/m1/s1