2-(9H-fluoren-9-ylcarbonyloxymethylamino)-3-(4-pyrrol-1-ylphenyl)propanoic acid

Systemtic Name: 2-(9H-fluoren-9-ylcarbonyloxymethylamino)-3-(4-pyrrol-1-ylphenyl)propanoic acid Openeye Name: 2-(9H-fluorene-9-carbonyloxymethylamino)-3-(4-pyrrol-1-ylphenyl)propanoic acid CAS Name: 2-[[9H-fluoren-9-yl(oxo)methoxy]methylamino]-3-[4-(1-pyrrolyl)phenyl]propanoic acid IUPAC Name: 2-(9H-fluorene-9-carbonyloxymethylamino)-3-(4-pyrrol-1-ylphenyl)propanoic acid Traditional Name: 2-(9H-fluorene-9-carbonyloxymethylamino)-3-(4-pyrrol-1-ylphenyl)propionic acid Formula: C28H24N2O4 MolecularWeight: 452.50116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C32)C(=O)OCNC(CC4=CC=C(C=C4)N5C=CC=C5)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)C(=O)OCNC(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)