methyl 2-[2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: methyl 2-[2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethoxy]benzoate Openeye Name: methyl 2-[2-[4-(azepan-1-yl)anilino]-2-oxo-ethoxy]benzoate CAS Name: 2-[2-[4-(1-azepanyl)anilino]-2-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[4-(azepan-1-yl)anilino]-2-oxoethoxy]benzoate Traditional Name: 2-[2-[4-(azepan-1-yl)anilino]-2-keto-ethoxy]benzoic acid methyl ester Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1OCC(=O)NC2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

COC(=O)C1=CC=CC=C1OCC(=O)NC2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C22H26N2O4/c1-27-22(26)19-8-4-5-9-20(19)28-16-21(25)23-17-10-12-18(13-11-17)24-14-6-2-3-7-15-24/h4-5,8-13H,2-3,6-7,14-16H2,1H3,(H,23,25)