N-[(2S)-1-(azepan-1-yl)-3-methyl-1-oxidanylidene-butan-2-yl]-4-ethoxy-benzamide

Systemtic Name: N-[(2S)-1-(azepan-1-yl)-3-methyl-1-oxidanylidene-butan-2-yl]-4-ethoxy-benzamide Openeye Name: N-[(1S)-1-(azepane-1-carbonyl)-2-methyl-propyl]-4-ethoxy-benzamide CAS Name: N-[(2S)-1-(1-azepanyl)-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide IUPAC Name: N-[(2S)-1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide Traditional Name: N-[(1S)-1-(azepane-1-carbonyl)-2-methyl-propyl]-4-ethoxy-benzamide Formula: C20H30N2O3 MolecularWeight: 346.4638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)N2CCCCCC2

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)N2CCCCCC2

InChI

InChI=1S/C20H30N2O3/c1-4-25-17-11-9-16(10-12-17)19(23)21-18(15(2)3)20(24)22-13-7-5-6-8-14-22/h9-12,15,18H,4-8,13-14H2,1-3H3,(H,21,23)/t18-/m0/s1