4-[2-[[1-chloranyl-2-(3-piperidin-1-ylphenyl)propyl]amino]-2-oxidanylidene-ethyl]-2-ethoxy-benzoic acid

Systemtic Name: 4-[2-[[1-chloranyl-2-(3-piperidin-1-ylphenyl)propyl]amino]-2-oxidanylidene-ethyl]-2-ethoxy-benzoic acid Openeye Name: 4-[2-[[1-chloro-2-[3-(1-piperidyl)phenyl]propyl]amino]-2-oxo-ethyl]-2-ethoxy-benzoic acid CAS Name: 4-[2-[[1-chloro-2-[3-(1-piperidinyl)phenyl]propyl]amino]-2-oxoethyl]-2-ethoxybenzoic acid IUPAC Name: 4-[2-[[1-chloro-2-(3-piperidin-1-ylphenyl)propyl]amino]-2-oxoethyl]-2-ethoxybenzoic acid Traditional Name: 4-[2-[[1-chloro-2-(3-piperidinophenyl)propyl]amino]-2-keto-ethyl]-2-ethoxy-benzoic acid Formula: C25H31ClN2O4 MolecularWeight: 458.97764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CC(=O)NC(C(C)C2=CC(=CC=C2)N3CCCCC3)Cl)C(=O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)CC(=O)NC(C(C)C2=CC(=CC=C2)N3CCCCC3)Cl)C(=O)O

InChI

InChI=1S/C25H31ClN2O4/c1-3-32-22-14-18(10-11-21(22)25(30)31)15-23(29)27-24(26)17(2)19-8-7-9-20(16-19)28-12-5-4-6-13-28/h7-11,14,16-17,24H,3-6,12-13,15H2,1-2H3,(H,27,29)(H,30,31)