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

Systemtic Name: 2-methoxy-4-[2-[[(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]amino]-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 2-methoxy-4-[2-[[(1S)-3-methyl-1-[2-(1-piperidyl)phenyl]butyl]amino]-2-oxo-ethyl]benzoic acid CAS Name: 2-methoxy-4-[2-[[(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl]amino]-2-oxoethyl]benzoic acid IUPAC Name: 2-methoxy-4-[2-[[(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]amino]-2-oxoethyl]benzoic acid Traditional Name: 4-[2-keto-2-[[(1S)-3-methyl-1-(2-piperidinophenyl)butyl]amino]ethyl]-2-methoxy-benzoic acid Formula: C26H34N2O4 MolecularWeight: 438.55916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N2O4/c1-18(2)15-22(20-9-5-6-10-23(20)28-13-7-4-8-14-28)27-25(29)17-19-11-12-21(26(30)31)24(16-19)32-3/h5-6,9-12,16,18,22H,4,7-8,13-15,17H2,1-3H3,(H,27,29)(H,30,31)/t22-/m0/s1