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

Systemtic Name: 4-[[3-chloranyl-4-[3-(dimethylamino)propoxy]-5-ethoxy-phenyl]methylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[3-chloro-4-[3-(dimethylamino)propoxy]-5-ethoxy-phenyl]methylamino]-4-oxo-butanoic acid CAS Name: 4-[[3-chloro-4-[3-(dimethylamino)propoxy]-5-ethoxyphenyl]methylamino]-4-oxobutanoic acid IUPAC Name: 4-[[3-chloro-4-[3-(dimethylamino)propoxy]-5-ethoxyphenyl]methylamino]-4-oxobutanoic acid Traditional Name: 4-[[3-chloro-4-[3-(dimethylamino)propoxy]-5-ethoxy-benzyl]amino]-4-keto-butyric acid Formula: C18H27ClN2O5 MolecularWeight: 386.87038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNC(=O)CCC(=O)O)Cl)OCCCN(C)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNC(=O)CCC(=O)O)Cl)OCCCN(C)C

InChI

InChI=1S/C18H27ClN2O5/c1-4-25-15-11-13(12-20-16(22)6-7-17(23)24)10-14(19)18(15)26-9-5-8-21(2)3/h10-11H,4-9,12H2,1-3H3,(H,20,22)(H,23,24)