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

Systemtic Name: 3-chloranyl-N-[(2S)-1-(2-dimethylaminoethylamino)-1-oxidanylidene-pentan-2-yl]-4-hexoxy-benzamide Openeye Name: 3-chloro-N-[(1S)-1-(2-dimethylaminoethylcarbamoyl)butyl]-4-hexoxy-benzamide CAS Name: 3-chloro-N-[(2S)-1-(2-dimethylaminoethylamino)-1-oxopentan-2-yl]-4-hexoxybenzamide IUPAC Name: 3-chloro-N-[(2S)-1-(2-dimethylaminoethylamino)-1-oxopentan-2-yl]-4-hexoxybenzamide Traditional Name: 3-chloro-N-[(1S)-1-(2-dimethylaminoethylcarbamoyl)butyl]-4-hexoxy-benzamide Formula: C22H36ClN3O3 MolecularWeight: 425.99254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(CCC)C(=O)NCCN(C)C)Cl

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)N[C@@H](CCC)C(=O)NCCN(C)C)Cl

InChI

InChI=1S/C22H36ClN3O3/c1-5-7-8-9-15-29-20-12-11-17(16-18(20)23)21(27)25-19(10-6-2)22(28)24-13-14-26(3)4/h11-12,16,19H,5-10,13-15H2,1-4H3,(H,24,28)(H,25,27)/t19-/m0/s1