4-[2-oxidanylidene-2-[1-(2-piperidin-1-ylphenyl)butylamino]ethyl]-2-propan-2-yloxy-benzoic acid

Systemtic Name: 4-[2-oxidanylidene-2-[1-(2-piperidin-1-ylphenyl)butylamino]ethyl]-2-propan-2-yloxy-benzoic acid Openeye Name: 2-isopropoxy-4-[2-oxo-2-[1-[2-(1-piperidyl)phenyl]butylamino]ethyl]benzoic acid CAS Name: 4-[2-oxo-2-[1-[2-(1-piperidinyl)phenyl]butylamino]ethyl]-2-propan-2-yloxybenzoic acid IUPAC Name: 4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)butylamino]ethyl]-2-propan-2-yloxybenzoic acid Traditional Name: 2-isopropoxy-4-[2-keto-2-[1-(2-piperidinophenyl)butylamino]ethyl]benzoic acid Formula: C27H36N2O4 MolecularWeight: 452.58574

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1N2CCCCC2)NC(=O)CC3=CC(=C(C=C3)C(=O)O)OC(C)C

Isomeric SMILES

CCCC(C1=CC=CC=C1N2CCCCC2)NC(=O)CC3=CC(=C(C=C3)C(=O)O)OC(C)C

InChI

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