(phenylmethyl) (2S)-2-[bis(phenylmethyl)amino]-3-(4-iodophenyl)propanoate

Systemtic Name: (phenylmethyl) (2S)-2-[bis(phenylmethyl)amino]-3-(4-iodophenyl)propanoate Openeye Name: benzyl (2S)-2-(dibenzylamino)-3-(4-iodophenyl)propanoate CAS Name: (2S)-2-[bis(phenylmethyl)amino]-3-(4-iodophenyl)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-(dibenzylamino)-3-(4-iodophenyl)propanoate Traditional Name: (2S)-2-(dibenzylamino)-3-(4-iodophenyl)propionic acid benzyl ester Formula: C30H28INO2 MolecularWeight: 561.45329

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(CC3=CC=C(C=C3)I)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)[C@@H](CC3=CC=C(C=C3)I)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C30H28INO2/c31-28-18-16-24(17-19-28)20-29(30(33)34-23-27-14-8-3-9-15-27)32(21-25-10-4-1-5-11-25)22-26-12-6-2-7-13-26/h1-19,29H,20-23H2/t29-/m0/s1