methyl 4-[7-(1-adamantyl)-1-ethoxy-6-morpholin-4-yl-naphthalen-2-yl]benzoate

Systemtic Name: methyl 4-[7-(1-adamantyl)-1-ethoxy-6-morpholin-4-yl-naphthalen-2-yl]benzoate Openeye Name: methyl 4-[7-(1-adamantyl)-1-ethoxy-6-morpholino-2-naphthyl]benzoate CAS Name: 4-[7-(1-adamantyl)-1-ethoxy-6-(4-morpholinyl)-2-naphthalenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[7-(1-adamantyl)-1-ethoxy-6-morpholin-4-ylnaphthalen-2-yl]benzoate Traditional Name: 4-[7-(1-adamantyl)-1-ethoxy-6-morpholino-2-naphthyl]benzoic acid methyl ester Formula: C34H39NO4 MolecularWeight: 525.67776

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC2=CC(=C(C=C21)C34CC5CC(C3)CC(C5)C4)N6CCOCC6)C7=CC=C(C=C7)C(=O)OC

Isomeric SMILES

CCOC1=C(C=CC2=CC(=C(C=C21)C34CC5CC(C3)CC(C5)C4)N6CCOCC6)C7=CC=C(C=C7)C(=O)OC

InChI

InChI=1S/C34H39NO4/c1-3-39-32-28(25-4-6-26(7-5-25)33(36)37-2)9-8-27-17-31(35-10-12-38-13-11-35)30(18-29(27)32)34-19-22-14-23(20-34)16-24(15-22)21-34/h4-9,17-18,22-24H,3,10-16,19-21H2,1-2H3