(phenylmethyl) (2S)-2-(naphthalen-1-ylcarbonylamino)-3-(4-nitrophenyl)propanoate

Systemtic Name: (phenylmethyl) (2S)-2-(naphthalen-1-ylcarbonylamino)-3-(4-nitrophenyl)propanoate Openeye Name: benzyl (2S)-2-(naphthalene-1-carbonylamino)-3-(4-nitrophenyl)propanoate CAS Name: (2S)-2-[[1-naphthalenyl(oxo)methyl]amino]-3-(4-nitrophenyl)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-(naphthalene-1-carbonylamino)-3-(4-nitrophenyl)propanoate Traditional Name: (2S)-2-(1-naphthoylamino)-3-(4-nitrophenyl)propionic acid benzyl ester Formula: C27H22N2O5 MolecularWeight: 454.47398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)[C@H](CC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C27H22N2O5/c30-26(24-12-6-10-21-9-4-5-11-23(21)24)28-25(17-19-13-15-22(16-14-19)29(32)33)27(31)34-18-20-7-2-1-3-8-20/h1-16,25H,17-18H2,(H,28,30)/t25-/m0/s1