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

Systemtic Name: 4-[2-[[3-methyl-1-(2-piperidin-1-ylphenyl)butyl]amino]-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 4-[2-[[3-methyl-1-[2-(1-piperidyl)phenyl]butyl]amino]-2-oxo-ethyl]benzoic acid CAS Name: 4-[2-[[3-methyl-1-[2-(1-piperidinyl)phenyl]butyl]amino]-2-oxoethyl]benzoic acid IUPAC Name: 4-[2-[[3-methyl-1-(2-piperidin-1-ylphenyl)butyl]amino]-2-oxoethyl]benzoic acid Traditional Name: 4-[2-keto-2-[[3-methyl-1-(2-piperidinophenyl)butyl]amino]ethyl]benzoic acid Formula: C25H32N2O3 MolecularWeight: 408.53318

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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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O3/c1-18(2)16-22(21-8-4-5-9-23(21)27-14-6-3-7-15-27)26-24(28)17-19-10-12-20(13-11-19)25(29)30/h4-5,8-13,18,22H,3,6-7,14-17H2,1-2H3,(H,26,28)(H,29,30)