2-[4-[2-(3-chloranyl-4-methoxy-phenyl)naphthalen-1-yl]oxyphenyl]but-3-enoic acid

Systemtic Name: 2-[4-[2-(3-chloranyl-4-methoxy-phenyl)naphthalen-1-yl]oxyphenyl]but-3-enoic acid Openeye Name: 2-[4-[[2-(3-chloro-4-methoxy-phenyl)-1-naphthyl]oxy]phenyl]but-3-enoic acid CAS Name: 2-[4-[[2-(3-chloro-4-methoxyphenyl)-1-naphthalenyl]oxy]phenyl]-3-butenoic acid IUPAC Name: 2-[4-[2-(3-chloro-4-methoxyphenyl)naphthalen-1-yl]oxyphenyl]but-3-enoic acid Traditional Name: 2-[4-[2-(3-chloro-4-methoxy-phenyl)-1-naphthoxy]phenyl]but-3-enoic acid Formula: C27H21ClO4 MolecularWeight: 444.90624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C3=CC=CC=C3C=C2)OC4=CC=C(C=C4)C(C=C)C(=O)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C3=CC=CC=C3C=C2)OC4=CC=C(C=C4)C(C=C)C(=O)O)Cl

InChI

InChI=1S/C27H21ClO4/c1-3-21(27(29)30)18-8-12-20(13-9-18)32-26-22-7-5-4-6-17(22)10-14-23(26)19-11-15-25(31-2)24(28)16-19/h3-16,21H,1H2,2H3,(H,29,30)