4-[(2-chloranyl-4,4-dimethyl-3-oxidanylidene-pentanoyl)amino]-2-hexadecyl-3-propan-2-yloxy-benzoate

Systemtic Name: 4-[(2-chloranyl-4,4-dimethyl-3-oxidanylidene-pentanoyl)amino]-2-hexadecyl-3-propan-2-yloxy-benzoate Openeye Name: 4-[(2-chloro-4,4-dimethyl-3-oxo-pentanoyl)amino]-2-hexadecyl-3-isopropoxy-benzoate CAS Name: 4-[(2-chloro-4,4-dimethyl-1,3-dioxopentyl)amino]-2-hexadecyl-3-propan-2-yloxybenzoate IUPAC Name: 4-[(2-chloro-4,4-dimethyl-3-oxopentanoyl)amino]-2-hexadecyl-3-propan-2-yloxybenzoate Traditional Name: 2-cetyl-4-[(2-chloro-3-keto-4,4-dimethyl-pentanoyl)amino]-3-isopropoxy-benzoate Formula: C33H53ClNO5- MolecularWeight: 579.23062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=C(C=CC(=C1OC(C)C)NC(=O)C(C(=O)C(C)(C)C)Cl)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=C(C=CC(=C1OC(C)C)NC(=O)C(C(=O)C(C)(C)C)Cl)C(=O)[O-]

InChI

InChI=1S/C33H54ClNO5/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-26(32(38)39)22-23-27(29(25)40-24(2)3)35-31(37)28(34)30(36)33(4,5)6/h22-24,28H,7-21H2,1-6H3,(H,35,37)(H,38,39)/p-1