2-[2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]-3-methoxy-propanoate

Systemtic Name: 2-[2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]-3-methoxy-propanoate Openeye Name: 2-[2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]-3-methoxy-propanoate CAS Name: 2-[2,6-dimethyl-4-[(1-phenyl-3-pyrazolyl)amino]phenyl]-3-methoxypropanoate IUPAC Name: 2-[2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]-3-methoxypropanoate Traditional Name: 2-[2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]-3-methoxy-propionate Formula: C21H22N3O3- MolecularWeight: 364.41768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C(COC)C(=O)[O-])C)NC2=NN(C=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC(=C1C(COC)C(=O)[O-])C)NC2=NN(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O3/c1-14-11-16(12-15(2)20(14)18(13-27-3)21(25)26)22-19-9-10-24(23-19)17-7-5-4-6-8-17/h4-12,18H,13H2,1-3H3,(H,22,23)(H,25,26)/p-1