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

Systemtic Name: 4-[[3-chloranyl-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[3-chloro-5-methoxy-4-(o-tolylmethoxy)phenyl]methylamino]-4-oxo-butanoic acid CAS Name: 4-[[3-chloro-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]-4-oxobutanoic acid IUPAC Name: 4-[[3-chloro-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]-4-oxobutanoic acid Traditional Name: 4-[[3-chloro-5-methoxy-4-(2-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=C1COC2=C(C=C(C=C2Cl)CNC(=O)CCC(=O)O)OC

Isomeric SMILES

CC1=CC=CC=C1COC2=C(C=C(C=C2Cl)CNC(=O)CCC(=O)O)OC

InChI

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