methyl 4-[7-(1-adamantyl)-6-(1-azanyl-1-oxidanylidene-hexan-2-yl)oxy-naphthalen-2-yl]benzoate

Systemtic Name: methyl 4-[7-(1-adamantyl)-6-(1-azanyl-1-oxidanylidene-hexan-2-yl)oxy-naphthalen-2-yl]benzoate Openeye Name: methyl 4-[7-(1-adamantyl)-6-(1-carbamoylpentoxy)-2-naphthyl]benzoate CAS Name: 4-[7-(1-adamantyl)-6-(1-amino-1-oxohexan-2-yl)oxy-2-naphthalenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[7-(1-adamantyl)-6-(1-amino-1-oxohexan-2-yl)oxynaphthalen-2-yl]benzoate Traditional Name: 4-[7-(1-adamantyl)-6-(1-carbamoylpentoxy)-2-naphthyl]benzoic acid methyl ester Formula: C34H39NO4 MolecularWeight: 525.67776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)N)OC1=C(C=C2C=C(C=CC2=C1)C3=CC=C(C=C3)C(=O)OC)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCCCC(C(=O)N)OC1=C(C=C2C=C(C=CC2=C1)C3=CC=C(C=C3)C(=O)OC)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C34H39NO4/c1-3-4-5-30(32(35)36)39-31-17-27-11-10-26(24-6-8-25(9-7-24)33(37)38-2)15-28(27)16-29(31)34-18-21-12-22(19-34)14-23(13-21)20-34/h6-11,15-17,21-23,30H,3-5,12-14,18-20H2,1-2H3,(H2,35,36)