2-chloranyl-4-[1-(ethoxymethoxy)-7-(4-methoxy-1-adamantyl)naphthalen-2-yl]benzoic acid

Systemtic Name: 2-chloranyl-4-[1-(ethoxymethoxy)-7-(4-methoxy-1-adamantyl)naphthalen-2-yl]benzoic acid Openeye Name: 2-chloro-4-[1-(ethoxymethoxy)-7-(4-methoxy-1-adamantyl)-2-naphthyl]benzoic acid CAS Name: 2-chloro-4-[1-(ethoxymethoxy)-7-(4-methoxy-1-adamantyl)-2-naphthalenyl]benzoic acid IUPAC Name: 2-chloro-4-[1-(ethoxymethoxy)-7-(4-methoxy-1-adamantyl)naphthalen-2-yl]benzoic acid Traditional Name: 2-chloro-4-[1-(ethoxymethoxy)-7-(4-methoxy-1-adamantyl)-2-naphthyl]benzoic acid Formula: C31H33ClO5 MolecularWeight: 521.04372

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Descriptors Computed from Structure

Canonical SMILES:

CCOCOC1=C(C=CC2=C1C=C(C=C2)C34CC5CC(C3)C(C(C5)C4)OC)C6=CC(=C(C=C6)C(=O)O)Cl

Isomeric SMILES

CCOCOC1=C(C=CC2=C1C=C(C=C2)C34CC5CC(C3)C(C(C5)C4)OC)C6=CC(=C(C=C6)C(=O)O)Cl

InChI

InChI=1S/C31H33ClO5/c1-3-36-17-37-29-24(20-6-9-25(30(33)34)27(32)12-20)8-5-19-4-7-23(13-26(19)29)31-14-18-10-21(15-31)28(35-2)22(11-18)16-31/h4-9,12-13,18,21-22,28H,3,10-11,14-17H2,1-2H3,(H,33,34)