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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-methanoylbenzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 4-formylbenzoate CAS Name: 4-formylbenzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 4-formylbenzoate Traditional Name: 4-formylbenzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C16H19NO4 MolecularWeight: 289.32636

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=CC=C(C=C2)C=O

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=CC=C(C=C2)C=O

InChI

InChI=1S/C16H19NO4/c18-11-13-5-7-14(8-6-13)16(20)21-12-15(19)17-9-3-1-2-4-10-17/h5-8,11H,1-4,9-10,12H2