[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate CAS Name: 2-[[3-(4-methoxyphenyl)-1-oxopropyl]amino]benzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate Traditional Name: 2-[3-(4-methoxyphenyl)propanoylamino]benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C25H30N2O5 MolecularWeight: 438.5161

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(=O)NC2=CC=CC=C2C(=O)OCC(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)CCC(=O)NC2=CC=CC=C2C(=O)OCC(=O)N3CCCCCC3

InChI

InChI=1S/C25H30N2O5/c1-31-20-13-10-19(11-14-20)12-15-23(28)26-22-9-5-4-8-21(22)25(30)32-18-24(29)27-16-6-2-3-7-17-27/h4-5,8-11,13-14H,2-3,6-7,12,15-18H2,1H3,(H,26,28)