[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-butoxybenzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-butoxybenzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C19H27NO4 MolecularWeight: 333.42198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)N2CCCCCC2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)N2CCCCCC2

InChI

InChI=1S/C19H27NO4/c1-2-3-14-23-17-10-8-16(9-11-17)19(22)24-15-18(21)20-12-6-4-5-7-13-20/h8-11H,2-7,12-15H2,1H3