2-[[4-(aminomethyl)phenyl]carbonylamino]-3-(4-pyrrolidin-1-ylcarbonyloxyphenyl)propanoic acid

Systemtic Name: 2-[[4-(aminomethyl)phenyl]carbonylamino]-3-(4-pyrrolidin-1-ylcarbonyloxyphenyl)propanoic acid Openeye Name: 2-[[4-(aminomethyl)benzoyl]amino]-3-[4-(pyrrolidine-1-carbonyloxy)phenyl]propanoic acid CAS Name: 2-[[[4-(aminomethyl)phenyl]-oxomethyl]amino]-3-[4-[oxo(1-pyrrolidinyl)methoxy]phenyl]propanoic acid IUPAC Name: 2-[[4-(aminomethyl)benzoyl]amino]-3-[4-(pyrrolidine-1-carbonyloxy)phenyl]propanoic acid Traditional Name: 2-[[4-(aminomethyl)benzoyl]amino]-3-[4-(pyrrolidine-1-carbonyloxy)phenyl]propionic acid Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)OC2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3=CC=C(C=C3)CN

Isomeric SMILES

C1CCN(C1)C(=O)OC2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3=CC=C(C=C3)CN

InChI

InChI=1S/C22H25N3O5/c23-14-16-3-7-17(8-4-16)20(26)24-19(21(27)28)13-15-5-9-18(10-6-15)30-22(29)25-11-1-2-12-25/h3-10,19H,1-2,11-14,23H2,(H,24,26)(H,27,28)