3,5-bis(chloranyl)-N-[(2S)-1-(2-dimethylaminoethylamino)-1-oxidanylidene-pentan-2-yl]-4-hexoxy-benzamide

Systemtic Name: 3,5-bis(chloranyl)-N-[(2S)-1-(2-dimethylaminoethylamino)-1-oxidanylidene-pentan-2-yl]-4-hexoxy-benzamide Openeye Name: 3,5-dichloro-N-[(1S)-1-(2-dimethylaminoethylcarbamoyl)butyl]-4-hexoxy-benzamide CAS Name: 3,5-dichloro-N-[(2S)-1-(2-dimethylaminoethylamino)-1-oxopentan-2-yl]-4-hexoxybenzamide IUPAC Name: 3,5-dichloro-N-[(2S)-1-(2-dimethylaminoethylamino)-1-oxopentan-2-yl]-4-hexoxybenzamide Traditional Name: 3,5-dichloro-N-[(1S)-1-(2-dimethylaminoethylcarbamoyl)butyl]-4-hexoxy-benzamide Formula: C22H35Cl2N3O3 MolecularWeight: 460.4376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1Cl)C(=O)NC(CCC)C(=O)NCCN(C)C)Cl

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1Cl)C(=O)N[C@@H](CCC)C(=O)NCCN(C)C)Cl

InChI

InChI=1S/C22H35Cl2N3O3/c1-5-7-8-9-13-30-20-17(23)14-16(15-18(20)24)21(28)26-19(10-6-2)22(29)25-11-12-27(3)4/h14-15,19H,5-13H2,1-4H3,(H,25,29)(H,26,28)/t19-/m0/s1