2-[2-(4-acetyloxy-3-tert-butyl-phenoxy)tetradecyl]-4-[(2-chloranyl-4,4-dimethyl-3-oxidanylidene-pentanoyl)amino]-3-propan-2-yloxy-benzoate

Systemtic Name: 2-[2-(4-acetyloxy-3-tert-butyl-phenoxy)tetradecyl]-4-[(2-chloranyl-4,4-dimethyl-3-oxidanylidene-pentanoyl)amino]-3-propan-2-yloxy-benzoate Openeye Name: 2-[2-(4-acetoxy-3-tert-butyl-phenoxy)tetradecyl]-4-[(2-chloro-4,4-dimethyl-3-oxo-pentanoyl)amino]-3-isopropoxy-benzoate CAS Name: 2-[2-(4-acetyloxy-3-tert-butylphenoxy)tetradecyl]-4-[(2-chloro-4,4-dimethyl-1,3-dioxopentyl)amino]-3-propan-2-yloxybenzoate IUPAC Name: 2-[2-(4-acetyloxy-3-tert-butylphenoxy)tetradecyl]-4-[(2-chloro-4,4-dimethyl-3-oxopentanoyl)amino]-3-propan-2-yloxybenzoate Traditional Name: 2-[2-(4-acetoxy-3-tert-butyl-phenoxy)tetradecyl]-4-[(2-chloro-3-keto-4,4-dimethyl-pentanoyl)amino]-3-isopropoxy-benzoate Formula: C43H63ClNO8- MolecularWeight: 757.41522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CC1=C(C=CC(=C1OC(C)C)NC(=O)C(C(=O)C(C)(C)C)Cl)C(=O)[O-])OC2=CC(=C(C=C2)OC(=O)C)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCC(CC1=C(C=CC(=C1OC(C)C)NC(=O)C(C(=O)C(C)(C)C)Cl)C(=O)[O-])OC2=CC(=C(C=C2)OC(=O)C)C(C)(C)C

InChI

InChI=1S/C43H64ClNO8/c1-11-12-13-14-15-16-17-18-19-20-21-30(53-31-22-25-36(52-29(4)46)34(27-31)42(5,6)7)26-33-32(41(49)50)23-24-35(38(33)51-28(2)3)45-40(48)37(44)39(47)43(8,9)10/h22-25,27-28,30,37H,11-21,26H2,1-10H3,(H,45,48)(H,49,50)/p-1