methyl 4-[7-(1-adamantyl)-6-(2-piperidin-1-ylethoxy)naphthalen-2-yl]benzoate

Systemtic Name: methyl 4-[7-(1-adamantyl)-6-(2-piperidin-1-ylethoxy)naphthalen-2-yl]benzoate Openeye Name: methyl 4-[7-(1-adamantyl)-6-[2-(1-piperidyl)ethoxy]-2-naphthyl]benzoate CAS Name: 4-[7-(1-adamantyl)-6-[2-(1-piperidinyl)ethoxy]-2-naphthalenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[7-(1-adamantyl)-6-(2-piperidin-1-ylethoxy)naphthalen-2-yl]benzoate Traditional Name: 4-[7-(1-adamantyl)-6-(2-piperidinoethoxy)-2-naphthyl]benzoic acid methyl ester Formula: C35H41NO3 MolecularWeight: 523.70494

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CC3=CC(=C(C=C3C=C2)OCCN4CCCCC4)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CC3=CC(=C(C=C3C=C2)OCCN4CCCCC4)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C35H41NO3/c1-38-34(37)28-7-5-27(6-8-28)29-9-10-30-20-33(39-14-13-36-11-3-2-4-12-36)32(19-31(30)18-29)35-21-24-15-25(22-35)17-26(16-24)23-35/h5-10,18-20,24-26H,2-4,11-17,21-23H2,1H3