N-[(2S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-4-methyl-benzamide

Systemtic Name: N-[(2S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-4-methyl-benzamide Openeye Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-methyl-propyl]-4-methyl-benzamide CAS Name: N-[(2S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide IUPAC Name: N-[(2S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide Traditional Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-methyl-propyl]-4-methyl-benzamide Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C22H26N2O4/c1-14(2)20(24-21(25)16-7-5-15(3)6-8-16)22(26)23-17-9-10-18-19(13-17)28-12-4-11-27-18/h5-10,13-14,20H,4,11-12H2,1-3H3,(H,23,26)(H,24,25)/t20-/m0/s1