2-[3-[2-(acetamidomethyl)-4-(1H-pyrazol-4-yl)phenyl]-4-methoxy-phenyl]ethanoic acid

Systemtic Name: 2-[3-[2-(acetamidomethyl)-4-(1H-pyrazol-4-yl)phenyl]-4-methoxy-phenyl]ethanoic acid Openeye Name: 2-[3-[2-(acetamidomethyl)-4-(1H-pyrazol-4-yl)phenyl]-4-methoxy-phenyl]acetic acid CAS Name: 2-[3-[2-(acetamidomethyl)-4-(1H-pyrazol-4-yl)phenyl]-4-methoxyphenyl]acetic acid IUPAC Name: 2-[3-[2-(acetamidomethyl)-4-(1H-pyrazol-4-yl)phenyl]-4-methoxyphenyl]acetic acid Traditional Name: 2-[3-[2-(acetamidomethyl)-4-(1H-pyrazol-4-yl)phenyl]-4-methoxy-phenyl]acetic acid Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=C(C=CC(=C1)C2=CNN=C2)C3=C(C=CC(=C3)CC(=O)O)OC

Isomeric SMILES

CC(=O)NCC1=C(C=CC(=C1)C2=CNN=C2)C3=C(C=CC(=C3)CC(=O)O)OC

InChI

InChI=1S/C21H21N3O4/c1-13(25)22-10-16-9-15(17-11-23-24-12-17)4-5-18(16)19-7-14(8-21(26)27)3-6-20(19)28-2/h3-7,9,11-12H,8,10H2,1-2H3,(H,22,25)(H,23,24)(H,26,27)