2-methoxy-4-[2-oxidanylidene-2-[(2-phenyl-1-piperidin-1-yl-butyl)amino]ethyl]benzoic acid

Systemtic Name: 2-methoxy-4-[2-oxidanylidene-2-[(2-phenyl-1-piperidin-1-yl-butyl)amino]ethyl]benzoic acid Openeye Name: 2-methoxy-4-[2-oxo-2-[[2-phenyl-1-(1-piperidyl)butyl]amino]ethyl]benzoic acid CAS Name: 2-methoxy-4-[2-oxo-2-[[2-phenyl-1-(1-piperidinyl)butyl]amino]ethyl]benzoic acid IUPAC Name: 2-methoxy-4-[2-oxo-2-[(2-phenyl-1-piperidin-1-ylbutyl)amino]ethyl]benzoic acid Traditional Name: 4-[2-keto-2-[(2-phenyl-1-piperidino-butyl)amino]ethyl]-2-methoxy-benzoic acid Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(NC(=O)CC2=CC(=C(C=C2)C(=O)O)OC)N3CCCCC3

Isomeric SMILES

CCC(C1=CC=CC=C1)C(NC(=O)CC2=CC(=C(C=C2)C(=O)O)OC)N3CCCCC3

InChI

InChI=1S/C25H32N2O4/c1-3-20(19-10-6-4-7-11-19)24(27-14-8-5-9-15-27)26-23(28)17-18-12-13-21(25(29)30)22(16-18)31-2/h4,6-7,10-13,16,20,24H,3,5,8-9,14-15,17H2,1-2H3,(H,26,28)(H,29,30)