5-(cyclohexylidenemethyl)-4-(dimethylaminomethyl)-2-fluoranyl-3-(3-methoxyphenyl)benzoic acid

Systemtic Name: 5-(cyclohexylidenemethyl)-4-(dimethylaminomethyl)-2-fluoranyl-3-(3-methoxyphenyl)benzoic acid Openeye Name: 5-(cyclohexylidenemethyl)-4-(dimethylaminomethyl)-2-fluoro-3-(3-methoxyphenyl)benzoic acid CAS Name: 5-(cyclohexylidenemethyl)-4-(dimethylaminomethyl)-2-fluoro-3-(3-methoxyphenyl)benzoic acid IUPAC Name: 5-(cyclohexylidenemethyl)-4-(dimethylaminomethyl)-2-fluoro-3-(3-methoxyphenyl)benzoic acid Traditional Name: 5-(cyclohexylidenemethyl)-4-(dimethylaminomethyl)-2-fluoro-3-(3-methoxyphenyl)benzoic acid Formula: C24H28FNO3 MolecularWeight: 397.482423

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=C(C(=C(C=C1C=C2CCCCC2)C(=O)O)F)C3=CC(=CC=C3)OC

Isomeric SMILES

CN(C)CC1=C(C(=C(C=C1C=C2CCCCC2)C(=O)O)F)C3=CC(=CC=C3)OC

InChI

InChI=1S/C24H28FNO3/c1-26(2)15-21-18(12-16-8-5-4-6-9-16)14-20(24(27)28)23(25)22(21)17-10-7-11-19(13-17)29-3/h7,10-14H,4-6,8-9,15H2,1-3H3,(H,27,28)