2-methoxyethyl 4-[[2-(azepan-1-ylcarbonyl)phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[[2-(azepan-1-ylcarbonyl)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[2-(azepane-1-carbonyl)anilino]-4-oxo-butanoate CAS Name: 4-[2-[1-azepanyl(oxo)methyl]anilino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[2-(azepane-1-carbonyl)anilino]-4-oxobutanoate Traditional Name: 4-[2-(azepane-1-carbonyl)anilino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CCC(=O)NC1=CC=CC=C1C(=O)N2CCCCCC2

Isomeric SMILES

COCCOC(=O)CCC(=O)NC1=CC=CC=C1C(=O)N2CCCCCC2

InChI

InChI=1S/C20H28N2O5/c1-26-14-15-27-19(24)11-10-18(23)21-17-9-5-4-8-16(17)20(25)22-12-6-2-3-7-13-22/h4-5,8-9H,2-3,6-7,10-15H2,1H3,(H,21,23)