(phenylmethyl) (2S)-3-(1-naphthalen-1-ylindol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: (phenylmethyl) (2S)-3-(1-naphthalen-1-ylindol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: benzyl (2S)-2-(benzyloxycarbonylamino)-3-[1-(1-naphthyl)indol-3-yl]propanoate CAS Name: (2S)-3-[1-(1-naphthalenyl)-3-indolyl]-2-(phenylmethoxycarbonylamino)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-3-(1-naphthalen-1-ylindol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-[1-(1-naphthyl)indol-3-yl]propionic acid benzyl ester Formula: C36H30N2O4 MolecularWeight: 554.6344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CC2=CN(C3=CC=CC=C32)C4=CC=CC5=CC=CC=C54)NC(=O)OCC6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)[C@H](CC2=CN(C3=CC=CC=C32)C4=CC=CC5=CC=CC=C54)NC(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C36H30N2O4/c39-35(41-24-26-12-3-1-4-13-26)32(37-36(40)42-25-27-14-5-2-6-15-27)22-29-23-38(33-20-10-9-19-31(29)33)34-21-11-17-28-16-7-8-18-30(28)34/h1-21,23,32H,22,24-25H2,(H,37,40)/t32-/m0/s1