5-azanyl-4-[(S)-(3-methoxy-4-phenylmethoxy-phenyl)-oxidanyl-methyl]-2-phenyl-pyrazol-3-olate

Systemtic Name: 5-azanyl-4-[(S)-(3-methoxy-4-phenylmethoxy-phenyl)-oxidanyl-methyl]-2-phenyl-pyrazol-3-olate Openeye Name: 5-amino-4-[(S)-(4-benzyloxy-3-methoxy-phenyl)-hydroxy-methyl]-2-phenyl-pyrazol-3-olate CAS Name: 5-amino-4-[(S)-hydroxy-(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenyl-3-pyrazololate IUPAC Name: 5-amino-4-[(S)-hydroxy-(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylpyrazol-3-olate Traditional Name: 5-amino-4-[(S)-(4-benzoxy-3-methoxy-phenyl)-hydroxy-methyl]-2-phenyl-pyrazol-3-olate Formula: C24H22N3O4- MolecularWeight: 416.44918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C2=C(N(N=C2N)C3=CC=CC=C3)[O-])O)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)[C@@H](C2=C(N(N=C2N)C3=CC=CC=C3)[O-])O)OCC4=CC=CC=C4

InChI

InChI=1S/C24H23N3O4/c1-30-20-14-17(12-13-19(20)31-15-16-8-4-2-5-9-16)22(28)21-23(25)26-27(24(21)29)18-10-6-3-7-11-18/h2-14,22,28-29H,15H2,1H3,(H2,25,26)/p-1/t22-/m0/s1