[2-(azocan-1-yl)-2-oxidanylidene-ethyl] 2-(2,5-dimethylphenyl)carbonylbenzoate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] 2-(2,5-dimethylphenyl)carbonylbenzoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] 2-(2,5-dimethylbenzoyl)benzoate CAS Name: 2-[(2,5-dimethylphenyl)-oxomethyl]benzoic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] 2-(2,5-dimethylbenzoyl)benzoate Traditional Name: 2-(2,5-dimethylbenzoyl)benzoic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C25H29NO4 MolecularWeight: 407.50206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)C2=CC=CC=C2C(=O)OCC(=O)N3CCCCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)C2=CC=CC=C2C(=O)OCC(=O)N3CCCCCCC3

InChI

InChI=1S/C25H29NO4/c1-18-12-13-19(2)22(16-18)24(28)20-10-6-7-11-21(20)25(29)30-17-23(27)26-14-8-4-3-5-9-15-26/h6-7,10-13,16H,3-5,8-9,14-15,17H2,1-2H3