2-[3-[4-[2-(phenylmethoxycarbonylamino)ethoxy]phenyl]pyrazol-1-yl]ethanoic acid

Systemtic Name: 2-[3-[4-[2-(phenylmethoxycarbonylamino)ethoxy]phenyl]pyrazol-1-yl]ethanoic acid Openeye Name: 2-[3-[4-[2-(benzyloxycarbonylamino)ethoxy]phenyl]pyrazol-1-yl]acetic acid CAS Name: 2-[3-[4-[2-(phenylmethoxycarbonylamino)ethoxy]phenyl]-1-pyrazolyl]acetic acid IUPAC Name: 2-[3-[4-[2-(phenylmethoxycarbonylamino)ethoxy]phenyl]pyrazol-1-yl]acetic acid Traditional Name: 2-[3-[4-[2-(benzyloxycarbonylamino)ethoxy]phenyl]pyrazol-1-yl]acetic acid Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCOC2=CC=C(C=C2)C3=NN(C=C3)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCOC2=CC=C(C=C2)C3=NN(C=C3)CC(=O)O

InChI

InChI=1S/C21H21N3O5/c25-20(26)14-24-12-10-19(23-24)17-6-8-18(9-7-17)28-13-11-22-21(27)29-15-16-4-2-1-3-5-16/h1-10,12H,11,13-15H2,(H,22,27)(H,25,26)