4-[2-[1-[2-(azepan-1-yl)phenyl]butylamino]-2-oxidanylidene-ethyl]-2-ethoxy-benzoic acid

Systemtic Name: 4-[2-[1-[2-(azepan-1-yl)phenyl]butylamino]-2-oxidanylidene-ethyl]-2-ethoxy-benzoic acid Openeye Name: 4-[2-[1-[2-(azepan-1-yl)phenyl]butylamino]-2-oxo-ethyl]-2-ethoxy-benzoic acid CAS Name: 4-[2-[1-[2-(1-azepanyl)phenyl]butylamino]-2-oxoethyl]-2-ethoxybenzoic acid IUPAC Name: 4-[2-[1-[2-(azepan-1-yl)phenyl]butylamino]-2-oxoethyl]-2-ethoxybenzoic acid Traditional Name: 4-[2-[1-[2-(azepan-1-yl)phenyl]butylamino]-2-keto-ethyl]-2-ethoxy-benzoic acid Formula: C27H36N2O4 MolecularWeight: 452.58574

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1N2CCCCCC2)NC(=O)CC3=CC(=C(C=C3)C(=O)O)OCC

Isomeric SMILES

CCCC(C1=CC=CC=C1N2CCCCCC2)NC(=O)CC3=CC(=C(C=C3)C(=O)O)OCC

InChI

InChI=1S/C27H36N2O4/c1-3-11-23(21-12-7-8-13-24(21)29-16-9-5-6-10-17-29)28-26(30)19-20-14-15-22(27(31)32)25(18-20)33-4-2/h7-8,12-15,18,23H,3-6,9-11,16-17,19H2,1-2H3,(H,28,30)(H,31,32)