2-[4-[[5-(4-methoxyphenyl)-3-oxidanylidene-cyclohexen-1-yl]amino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[[5-(4-methoxyphenyl)-3-oxidanylidene-cyclohexen-1-yl]amino]phenyl]ethanoic acid Openeye Name: 2-[4-[[5-(4-methoxyphenyl)-3-oxo-cyclohexen-1-yl]amino]phenyl]acetic acid CAS Name: 2-[4-[[5-(4-methoxyphenyl)-3-oxo-1-cyclohexenyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[[5-(4-methoxyphenyl)-3-oxocyclohexen-1-yl]amino]phenyl]acetic acid Traditional Name: 2-[4-[[3-keto-5-(4-methoxyphenyl)cyclohexen-1-yl]amino]phenyl]acetic acid Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=CC(=O)C2)NC3=CC=C(C=C3)CC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=CC(=O)C2)NC3=CC=C(C=C3)CC(=O)O

InChI

InChI=1S/C21H21NO4/c1-26-20-8-4-15(5-9-20)16-11-18(13-19(23)12-16)22-17-6-2-14(3-7-17)10-21(24)25/h2-9,13,16,22H,10-12H2,1H3,(H,24,25)