2-[1-[4-cycloheptylcarbonyloxy-3-(3,3-dimethylbutanoyloxymethyl)phenyl]-2-(methylamino)propyl]-3-methyl-benzoate

Systemtic Name: 2-[1-[4-cycloheptylcarbonyloxy-3-(3,3-dimethylbutanoyloxymethyl)phenyl]-2-(methylamino)propyl]-3-methyl-benzoate Openeye Name: 2-[1-[4-(cycloheptanecarbonyloxy)-3-(3,3-dimethylbutanoyloxymethyl)phenyl]-2-(methylamino)propyl]-3-methyl-benzoate CAS Name: 2-[1-[4-[cycloheptyl(oxo)methoxy]-3-[(3,3-dimethyl-1-oxobutoxy)methyl]phenyl]-2-(methylamino)propyl]-3-methylbenzoate IUPAC Name: 2-[1-[4-(cycloheptanecarbonyloxy)-3-(3,3-dimethylbutanoyloxymethyl)phenyl]-2-(methylamino)propyl]-3-methylbenzoate Traditional Name: 2-[1-[4-(cycloheptanecarbonyloxy)-3-(3,3-dimethylbutanoyloxymethyl)phenyl]-2-(methylamino)propyl]-3-methyl-benzoate Formula: C33H44NO6- MolecularWeight: 550.70556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C(C2=CC(=C(C=C2)OC(=O)C3CCCCCC3)COC(=O)CC(C)(C)C)C(C)NC)C(=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1C(C2=CC(=C(C=C2)OC(=O)C3CCCCCC3)COC(=O)CC(C)(C)C)C(C)NC)C(=O)[O-]

InChI

InChI=1S/C33H45NO6/c1-21-12-11-15-26(31(36)37)29(21)30(22(2)34-6)24-16-17-27(40-32(38)23-13-9-7-8-10-14-23)25(18-24)20-39-28(35)19-33(3,4)5/h11-12,15-18,22-23,30,34H,7-10,13-14,19-20H2,1-6H3,(H,36,37)/p-1