methyl 4-[[2,7-bis(oxidanylidene)azepan-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[2,7-bis(oxidanylidene)azepan-1-yl]methyl]benzoate Openeye Name: methyl 4-[(2,7-dioxoazepan-1-yl)methyl]benzoate CAS Name: 4-[(2,7-dioxo-1-azepanyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2,7-dioxoazepan-1-yl)methyl]benzoate Traditional Name: 4-[(2,7-diketoazepan-1-yl)methyl]benzoic acid methyl ester Formula: C15H17NO4 MolecularWeight: 275.29978

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2C(=O)CCCCC2=O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2C(=O)CCCCC2=O

InChI

InChI=1S/C15H17NO4/c1-20-15(19)12-8-6-11(7-9-12)10-16-13(17)4-2-3-5-14(16)18/h6-9H,2-5,10H2,1H3