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

Systemtic Name: 4-[[3-chloranyl-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[3-chloro-5-methoxy-4-(m-tolylmethoxy)phenyl]methylamino]-4-oxo-butanoic acid CAS Name: 4-[[3-chloro-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]-4-oxobutanoic acid IUPAC Name: 4-[[3-chloro-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]-4-oxobutanoic acid Traditional Name: 4-[[3-chloro-5-methoxy-4-(3-methylbenzyl)oxy-benzyl]amino]-4-keto-butyric acid Formula: C20H22ClNO5 MolecularWeight: 391.84538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC2=C(C=C(C=C2Cl)CNC(=O)CCC(=O)O)OC

Isomeric SMILES

CC1=CC(=CC=C1)COC2=C(C=C(C=C2Cl)CNC(=O)CCC(=O)O)OC

InChI

InChI=1S/C20H22ClNO5/c1-13-4-3-5-14(8-13)12-27-20-16(21)9-15(10-17(20)26-2)11-22-18(23)6-7-19(24)25/h3-5,8-10H,6-7,11-12H2,1-2H3,(H,22,23)(H,24,25)