4-[2-[(5-chloranyl-2-piperidin-1-yl-phenyl)methylamino]-2-oxidanylidene-ethyl]-2-ethoxy-benzoic acid

Systemtic Name: 4-[2-[(5-chloranyl-2-piperidin-1-yl-phenyl)methylamino]-2-oxidanylidene-ethyl]-2-ethoxy-benzoic acid Openeye Name: 4-[2-[[5-chloro-2-(1-piperidyl)phenyl]methylamino]-2-oxo-ethyl]-2-ethoxy-benzoic acid CAS Name: 4-[2-[[5-chloro-2-(1-piperidinyl)phenyl]methylamino]-2-oxoethyl]-2-ethoxybenzoic acid IUPAC Name: 4-[2-[(5-chloro-2-piperidin-1-ylphenyl)methylamino]-2-oxoethyl]-2-ethoxybenzoic acid Traditional Name: 4-[2-[(5-chloro-2-piperidino-benzyl)amino]-2-keto-ethyl]-2-ethoxy-benzoic acid Formula: C23H27ClN2O4 MolecularWeight: 430.92448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CC(=O)NCC2=C(C=CC(=C2)Cl)N3CCCCC3)C(=O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)CC(=O)NCC2=C(C=CC(=C2)Cl)N3CCCCC3)C(=O)O

InChI

InChI=1S/C23H27ClN2O4/c1-2-30-21-12-16(6-8-19(21)23(28)29)13-22(27)25-15-17-14-18(24)7-9-20(17)26-10-4-3-5-11-26/h6-9,12,14H,2-5,10-11,13,15H2,1H3,(H,25,27)(H,28,29)