(3S)-N-(cyclododecylideneamino)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3S)-N-(cyclododecylideneamino)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3S)-N-(cyclododecylideneamino)-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3S)-N-(cyclododecylideneamino)-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3S)-N-(cyclododecylideneamino)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3S)-N-(cyclododecylideneamino)-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C21H30N2O3 MolecularWeight: 358.4745

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCC(=NNC(=O)C2COC3=CC=CC=C3O2)CCCCC1

Isomeric SMILES

C1CCCCCC(=NNC(=O)[C@@H]2COC3=CC=CC=C3O2)CCCCC1

InChI

InChI=1S/C21H30N2O3/c24-21(20-16-25-18-14-10-11-15-19(18)26-20)23-22-17-12-8-6-4-2-1-3-5-7-9-13-17/h10-11,14-15,20H,1-9,12-13,16H2,(H,23,24)/t20-/m0/s1