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

Systemtic Name: 3-ethoxy-4-[2-[1-(4-methyl-2-piperidin-1-yl-phenyl)butylamino]-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 3-ethoxy-4-[2-[1-[4-methyl-2-(1-piperidyl)phenyl]butylamino]-2-oxo-ethyl]benzoic acid CAS Name: 3-ethoxy-4-[2-[1-[4-methyl-2-(1-piperidinyl)phenyl]butylamino]-2-oxoethyl]benzoic acid IUPAC Name: 3-ethoxy-4-[2-[1-(4-methyl-2-piperidin-1-ylphenyl)butylamino]-2-oxoethyl]benzoic acid Traditional Name: 3-ethoxy-4-[2-keto-2-[1-(4-methyl-2-piperidino-phenyl)butylamino]ethyl]benzoic acid Formula: C27H36N2O4 MolecularWeight: 452.58574

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C(C=C(C=C1)C)N2CCCCC2)NC(=O)CC3=C(C=C(C=C3)C(=O)O)OCC

Isomeric SMILES

CCCC(C1=C(C=C(C=C1)C)N2CCCCC2)NC(=O)CC3=C(C=C(C=C3)C(=O)O)OCC

InChI

InChI=1S/C27H36N2O4/c1-4-9-23(22-13-10-19(3)16-24(22)29-14-7-6-8-15-29)28-26(30)18-20-11-12-21(27(31)32)17-25(20)33-5-2/h10-13,16-17,23H,4-9,14-15,18H2,1-3H3,(H,28,30)(H,31,32)