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

Systemtic Name: N-[(2S)-1-(2-dimethylaminoethylamino)-3-methoxy-1-oxidanylidene-propan-2-yl]-4-hexoxy-benzamide Openeye Name: N-[(1S)-2-(2-dimethylaminoethylamino)-1-(methoxymethyl)-2-oxo-ethyl]-4-hexoxy-benzamide CAS Name: N-[(2S)-1-(2-dimethylaminoethylamino)-3-methoxy-1-oxopropan-2-yl]-4-hexoxybenzamide IUPAC Name: N-[(2S)-1-(2-dimethylaminoethylamino)-3-methoxy-1-oxopropan-2-yl]-4-hexoxybenzamide Traditional Name: N-[(1S)-2-(2-dimethylaminoethylamino)-2-keto-1-(methoxymethyl)ethyl]-4-hexoxy-benzamide Formula: C21H35N3O4 MolecularWeight: 393.5203

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(COC)C(=O)NCCN(C)C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)N[C@@H](COC)C(=O)NCCN(C)C

InChI

InChI=1S/C21H35N3O4/c1-5-6-7-8-15-28-18-11-9-17(10-12-18)20(25)23-19(16-27-4)21(26)22-13-14-24(2)3/h9-12,19H,5-8,13-16H2,1-4H3,(H,22,26)(H,23,25)/t19-/m0/s1