dimethyl 2-[6-[3-(1-adamantyl)-4-(3-oxidanylpropyl)phenyl]naphthalen-2-yl]propanedioate

Systemtic Name: dimethyl 2-[6-[3-(1-adamantyl)-4-(3-oxidanylpropyl)phenyl]naphthalen-2-yl]propanedioate Openeye Name: dimethyl 2-[6-[3-(1-adamantyl)-4-(3-hydroxypropyl)phenyl]-2-naphthyl]propanedioate CAS Name: 2-[6-[3-(1-adamantyl)-4-(3-hydroxypropyl)phenyl]-2-naphthalenyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[6-[3-(1-adamantyl)-4-(3-hydroxypropyl)phenyl]naphthalen-2-yl]propanedioate Traditional Name: 2-[6-[3-(1-adamantyl)-4-(3-hydroxypropyl)phenyl]-2-naphthyl]malonic acid dimethyl ester Formula: C34H38O5 MolecularWeight: 526.66252

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC2=C(C=C1)C=C(C=C2)C3=CC(=C(C=C3)CCCO)C45CC6CC(C4)CC(C6)C5)C(=O)OC

Isomeric SMILES

COC(=O)C(C1=CC2=C(C=C1)C=C(C=C2)C3=CC(=C(C=C3)CCCO)C45CC6CC(C4)CC(C6)C5)C(=O)OC

InChI

InChI=1S/C34H38O5/c1-38-32(36)31(33(37)39-2)29-10-9-25-15-26(7-8-27(25)16-29)28-6-5-24(4-3-11-35)30(17-28)34-18-21-12-22(19-34)14-23(13-21)20-34/h5-10,15-17,21-23,31,35H,3-4,11-14,18-20H2,1-2H3