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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1N2CCC(CC2)C)NC(=O)CC3=CC(=C(C=C3)C(=O)O)OCC

Isomeric SMILES

CCCC(C1=CC=CC=C1N2CCC(CC2)C)NC(=O)CC3=CC(=C(C=C3)C(=O)O)OCC

InChI

InChI=1S/C27H36N2O4/c1-4-8-23(21-9-6-7-10-24(21)29-15-13-19(3)14-16-29)28-26(30)18-20-11-12-22(27(31)32)25(17-20)33-5-2/h6-7,9-12,17,19,23H,4-5,8,13-16,18H2,1-3H3,(H,28,30)(H,31,32)