2-(3,5-dimethoxyphenoxy)-2-methyl-pentanoic acid; 9H-fluoren-9-ylmethyl carbamate

Systemtic Name: 2-(3,5-dimethoxyphenoxy)-2-methyl-pentanoic acid; 9H-fluoren-9-ylmethyl carbamate Openeye Name: 2-(3,5-dimethoxyphenoxy)-2-methyl-pentanoic acid; 9H-fluoren-9-ylmethyl carbamate CAS Name: carbamic acid 9H-fluoren-9-ylmethyl ester; 2-(3,5-dimethoxyphenoxy)-2-methylpentanoic acid IUPAC Name: 2-(3,5-dimethoxyphenoxy)-2-methylpentanoic acid; 9H-fluoren-9-ylmethyl carbamate Traditional Name: carbamic acid 9H-fluoren-9-ylmethyl ester; 2-(3,5-dimethoxyphenoxy)-2-methyl-valeric acid Formula: C29H33NO7 MolecularWeight: 507.57482

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(=O)O)OC1=CC(=CC(=C1)OC)OC.C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N

Isomeric SMILES

CCCC(C)(C(=O)O)OC1=CC(=CC(=C1)OC)OC.C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N

InChI

InChI=1S/C15H13NO2.C14H20O5/c16-15(17)18-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14;1-5-6-14(2,13(15)16)19-12-8-10(17-3)7-11(9-12)18-4/h1-8,14H,9H2,(H2,16,17);7-9H,5-6H2,1-4H3,(H,15,16)