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

Systemtic Name: 4-[(4,4-dimethyl-3-oxidanylidene-pentanoyl)amino]-2-hexadecyl-3-propan-2-yloxy-benzoate Openeye Name: 4-[(4,4-dimethyl-3-oxo-pentanoyl)amino]-2-hexadecyl-3-isopropoxy-benzoate CAS Name: 4-[(4,4-dimethyl-1,3-dioxopentyl)amino]-2-hexadecyl-3-propan-2-yloxybenzoate IUPAC Name: 4-[(4,4-dimethyl-3-oxopentanoyl)amino]-2-hexadecyl-3-propan-2-yloxybenzoate Traditional Name: 2-cetyl-3-isopropoxy-4-[(3-keto-4,4-dimethyl-pentanoyl)amino]benzoate Formula: C33H54NO5- MolecularWeight: 544.78556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H55NO5/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-27(32(37)38)22-23-28(31(26)39-25(2)3)34-30(36)24-29(35)33(4,5)6/h22-23,25H,7-21,24H2,1-6H3,(H,34,36)(H,37,38)/p-1