[2-[[3-(diethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(2-oxidanylideneazepan-1-yl)ethanoate

Systemtic Name: [2-[[3-(diethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(2-oxidanylideneazepan-1-yl)ethanoate Openeye Name: [2-[3-(diethylcarbamoyl)anilino]-2-oxo-ethyl] 2-(2-oxoazepan-1-yl)acetate CAS Name: 2-(2-oxo-1-azepanyl)acetic acid [2-[3-[diethylamino(oxo)methyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate Traditional Name: 2-(2-ketoazepan-1-yl)acetic acid [2-[3-(diethylcarbamoyl)anilino]-2-keto-ethyl] ester Formula: C21H29N3O5 MolecularWeight: 403.47206

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)COC(=O)CN2CCCCCC2=O

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)COC(=O)CN2CCCCCC2=O

InChI

InChI=1S/C21H29N3O5/c1-3-23(4-2)21(28)16-9-8-10-17(13-16)22-18(25)15-29-20(27)14-24-12-7-5-6-11-19(24)26/h8-10,13H,3-7,11-12,14-15H2,1-2H3,(H,22,25)