4-[[3-chloranyl-5-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-chloranyl-5-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[3-chloro-5-methoxy-4-[2-(1-piperidyl)ethoxy]phenyl]methylamino]-4-oxo-butanoic acid CAS Name: 4-[[3-chloro-5-methoxy-4-[2-(1-piperidinyl)ethoxy]phenyl]methylamino]-4-oxobutanoic acid IUPAC Name: 4-[[3-chloro-5-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methylamino]-4-oxobutanoic acid Traditional Name: 4-[[3-chloro-5-methoxy-4-(2-piperidinoethoxy)benzyl]amino]-4-keto-butyric acid Formula: C19H27ClN2O5 MolecularWeight: 398.88108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNC(=O)CCC(=O)O)Cl)OCCN2CCCCC2

Isomeric SMILES

COC1=C(C(=CC(=C1)CNC(=O)CCC(=O)O)Cl)OCCN2CCCCC2

InChI

InChI=1S/C19H27ClN2O5/c1-26-16-12-14(13-21-17(23)5-6-18(24)25)11-15(20)19(16)27-10-9-22-7-3-2-4-8-22/h11-12H,2-10,13H2,1H3,(H,21,23)(H,24,25)