(2S)-2-[(3-cyclopentyl-1-phenyl-pyrazol-4-yl)methylamino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: (2S)-2-[(3-cyclopentyl-1-phenyl-pyrazol-4-yl)methylamino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: (2S)-2-[(3-cyclopentyl-1-phenyl-pyrazol-4-yl)methylamino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: (2S)-2-[(3-cyclopentyl-1-phenyl-4-pyrazolyl)methylamino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: (2S)-2-[(3-cyclopentyl-1-phenylpyrazol-4-yl)methylamino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: (2S)-2-[(3-cyclopentyl-1-phenyl-pyrazol-4-yl)methylamino]-3-(4-hydroxyphenyl)propionic acid Formula: C24H22N3O3 MolecularWeight: 400.44978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)[C]3[CH][CH][CH][CH]3)CNC(CC4=CC=C(C=C4)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)[C]3[CH][CH][CH][CH]3)CN[C@@H](CC4=CC=C(C=C4)O)C(=O)O

InChI

InChI=1S/C24H22N3O3/c28-21-12-10-17(11-13-21)14-22(24(29)30)25-15-19-16-27(20-8-2-1-3-9-20)26-23(19)18-6-4-5-7-18/h1-13,16,22,25,28H,14-15H2,(H,29,30)/t22-/m0/s1