(2S)-2-(9H-fluoren-9-ylcarbonyloxymethylazaniumyl)-3-(4-pyrrol-1-ylphenyl)propanoate

Systemtic Name: (2S)-2-(9H-fluoren-9-ylcarbonyloxymethylazaniumyl)-3-(4-pyrrol-1-ylphenyl)propanoate Openeye Name: (2S)-2-(9H-fluorene-9-carbonyloxymethylammonio)-3-(4-pyrrol-1-ylphenyl)propanoate CAS Name: (2S)-2-[[9H-fluoren-9-yl(oxo)methoxy]methylammonio]-3-[4-(1-pyrrolyl)phenyl]propanoate IUPAC Name: (2S)-2-(9H-fluorene-9-carbonyloxymethylazaniumyl)-3-(4-pyrrol-1-ylphenyl)propanoate Traditional Name: (2S)-2-(9H-fluorene-9-carbonyloxymethylammonio)-3-(4-pyrrol-1-ylphenyl)propionate Formula: C28H24N2O4 MolecularWeight: 452.50116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C32)C(=O)OC[NH2+]C(CC4=CC=C(C=C4)N5C=CC=C5)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)C(=O)OC[NH2+][C@@H](CC4=CC=C(C=C4)N5C=CC=C5)C(=O)[O-]

InChI

InChI=1S/C28H24N2O4/c31-27(32)25(17-19-11-13-20(14-12-19)30-15-5-6-16-30)29-18-34-28(33)26-23-9-3-1-7-21(23)22-8-2-4-10-24(22)26/h1-16,25-26,29H,17-18H2,(H,31,32)/t25-/m0/s1