methyl 4-hexadecoxy-3-(3-oxidanylidenebutanoylamino)benzoate

Systemtic Name: methyl 4-hexadecoxy-3-(3-oxidanylidenebutanoylamino)benzoate Openeye Name: methyl 4-hexadecoxy-3-(3-oxobutanoylamino)benzoate CAS Name: 3-(1,3-dioxobutylamino)-4-hexadecoxybenzoic acid methyl ester IUPAC Name: methyl 4-hexadecoxy-3-(3-oxobutanoylamino)benzoate Traditional Name: 3-(acetoacetylamino)-4-cetyloxy-benzoic acid methyl ester Formula: C28H45NO5 MolecularWeight: 475.6606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)OC)NC(=O)CC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)OC)NC(=O)CC(=O)C

InChI

InChI=1S/C28H45NO5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-34-26-19-18-24(28(32)33-3)22-25(26)29-27(31)21-23(2)30/h18-19,22H,4-17,20-21H2,1-3H3,(H,29,31)