4-[[3-chloranyl-4-[3-(dimethylamino)propoxy]-5-methoxy-phenyl]methylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-chloranyl-4-[3-(dimethylamino)propoxy]-5-methoxy-phenyl]methylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[3-chloro-4-[3-(dimethylamino)propoxy]-5-methoxy-phenyl]methylamino]-4-oxo-butanoic acid CAS Name: 4-[[3-chloro-4-[3-(dimethylamino)propoxy]-5-methoxyphenyl]methylamino]-4-oxobutanoic acid IUPAC Name: 4-[[3-chloro-4-[3-(dimethylamino)propoxy]-5-methoxyphenyl]methylamino]-4-oxobutanoic acid Traditional Name: 4-[[3-chloro-4-[3-(dimethylamino)propoxy]-5-methoxy-benzyl]amino]-4-keto-butyric acid Formula: C17H25ClN2O5 MolecularWeight: 372.8438

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCOC1=C(C=C(C=C1Cl)CNC(=O)CCC(=O)O)OC

Isomeric SMILES

CN(C)CCCOC1=C(C=C(C=C1Cl)CNC(=O)CCC(=O)O)OC

InChI

InChI=1S/C17H25ClN2O5/c1-20(2)7-4-8-25-17-13(18)9-12(10-14(17)24-3)11-19-15(21)5-6-16(22)23/h9-10H,4-8,11H2,1-3H3,(H,19,21)(H,22,23)