3-ethoxy-4-[2-[[(1R)-2-methyl-1-(2-piperidin-1-ylphenyl)butyl]amino]-2-oxidanylidene-ethyl]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=CC=CC=C1N2CCCCC2)NC(=O)CC3=C(C=C(C=C3)C(=O)O)OCC

Isomeric SMILES

CCC(C)[C@H](C1=CC=CC=C1N2CCCCC2)NC(=O)CC3=C(C=C(C=C3)C(=O)O)OCC

InChI

InChI=1S/C27H36N2O4/c1-4-19(3)26(22-11-7-8-12-23(22)29-15-9-6-10-16-29)28-25(30)18-20-13-14-21(27(31)32)17-24(20)33-5-2/h7-8,11-14,17,19,26H,4-6,9-10,15-16,18H2,1-3H3,(H,28,30)(H,31,32)/t19?,26-/m1/s1