2-[[1-(1-ethoxy-1-oxidanylidene-propan-2-yl)-2-oxidanylidene-azepan-3-yl]amino]-4-phenyl-butanoic acid

Systemtic Name: 2-[[1-(1-ethoxy-1-oxidanylidene-propan-2-yl)-2-oxidanylidene-azepan-3-yl]amino]-4-phenyl-butanoic acid Openeye Name: 2-[[1-(2-ethoxy-1-methyl-2-oxo-ethyl)-2-oxo-azepan-3-yl]amino]-4-phenyl-butanoic acid CAS Name: 2-[[1-(1-ethoxy-1-oxopropan-2-yl)-2-oxo-3-azepanyl]amino]-4-phenylbutanoic acid IUPAC Name: 2-[[1-(1-ethoxy-1-oxopropan-2-yl)-2-oxoazepan-3-yl]amino]-4-phenylbutanoic acid Traditional Name: 2-[[1-(2-ethoxy-2-keto-1-methyl-ethyl)-2-keto-azepan-3-yl]amino]-4-phenyl-butyric acid Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)N1CCCCC(C1=O)NC(CCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCOC(=O)C(C)N1CCCCC(C1=O)NC(CCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H30N2O5/c1-3-28-21(27)15(2)23-14-8-7-11-17(19(23)24)22-18(20(25)26)13-12-16-9-5-4-6-10-16/h4-6,9-10,15,17-18,22H,3,7-8,11-14H2,1-2H3,(H,25,26)