dimethyl 2-[3-[2-[[(1S)-1-phenylethyl]-phenylmethoxycarbonyl-amino]ethyl]-1H-indol-2-yl]propanedioate

Systemtic Name: dimethyl 2-[3-[2-[[(1S)-1-phenylethyl]-phenylmethoxycarbonyl-amino]ethyl]-1H-indol-2-yl]propanedioate Openeye Name: dimethyl 2-[3-[2-[benzyloxycarbonyl-[(1S)-1-phenylethyl]amino]ethyl]-1H-indol-2-yl]propanedioate CAS Name: 2-[3-[2-[[(1S)-1-phenylethyl]-phenylmethoxycarbonylamino]ethyl]-1H-indol-2-yl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[3-[2-[[(1S)-1-phenylethyl]-phenylmethoxycarbonylamino]ethyl]-1H-indol-2-yl]propanedioate Traditional Name: 2-[3-[2-[carbobenzoxy-[(1S)-1-phenylethyl]amino]ethyl]-1H-indol-2-yl]malonic acid dimethyl ester Formula: C31H32N2O6 MolecularWeight: 528.59558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N(CCC2=C(NC3=CC=CC=C32)C(C(=O)OC)C(=O)OC)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)N(CCC2=C(NC3=CC=CC=C32)C(C(=O)OC)C(=O)OC)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C31H32N2O6/c1-21(23-14-8-5-9-15-23)33(31(36)39-20-22-12-6-4-7-13-22)19-18-25-24-16-10-11-17-26(24)32-28(25)27(29(34)37-2)30(35)38-3/h4-17,21,27,32H,18-20H2,1-3H3/t21-/m0/s1