4-[[5-chloranyl-2-(naphthalen-1-ylmethoxy)phenyl]methylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[5-chloranyl-2-(naphthalen-1-ylmethoxy)phenyl]methylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[5-chloro-2-(1-naphthylmethoxy)phenyl]methylamino]-4-oxo-butanoic acid CAS Name: 4-[[5-chloro-2-(1-naphthalenylmethoxy)phenyl]methylamino]-4-oxobutanoic acid IUPAC Name: 4-[[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylamino]-4-oxobutanoic acid Traditional Name: 4-[[5-chloro-2-(1-naphthylmethoxy)benzyl]amino]-4-keto-butyric acid Formula: C22H20ClNO4 MolecularWeight: 397.8515

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2COC3=C(C=C(C=C3)Cl)CNC(=O)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2COC3=C(C=C(C=C3)Cl)CNC(=O)CCC(=O)O

InChI

InChI=1S/C22H20ClNO4/c23-18-8-9-20(17(12-18)13-24-21(25)10-11-22(26)27)28-14-16-6-3-5-15-4-1-2-7-19(15)16/h1-9,12H,10-11,13-14H2,(H,24,25)(H,26,27)