(3S)-3-[4-(4-chloranyl-2-methyl-phenoxy)butanoylamino]-3-(4-ethoxyphenyl)propanoate

Systemtic Name: (3S)-3-[4-(4-chloranyl-2-methyl-phenoxy)butanoylamino]-3-(4-ethoxyphenyl)propanoate Openeye Name: (3S)-3-[4-(4-chloro-2-methyl-phenoxy)butanoylamino]-3-(4-ethoxyphenyl)propanoate CAS Name: (3S)-3-[[4-(4-chloro-2-methylphenoxy)-1-oxobutyl]amino]-3-(4-ethoxyphenyl)propanoate IUPAC Name: (3S)-3-[4-(4-chloro-2-methylphenoxy)butanoylamino]-3-(4-ethoxyphenyl)propanoate Traditional Name: (3S)-3-[4-(4-chloro-2-methyl-phenoxy)butanoylamino]-3-p-phenetyl-propionate Formula: C22H25ClNO5- MolecularWeight: 418.8906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(CC(=O)[O-])NC(=O)CCCOC2=C(C=C(C=C2)Cl)C

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H](CC(=O)[O-])NC(=O)CCCOC2=C(C=C(C=C2)Cl)C

InChI

InChI=1S/C22H26ClNO5/c1-3-28-18-9-6-16(7-10-18)19(14-22(26)27)24-21(25)5-4-12-29-20-11-8-17(23)13-15(20)2/h6-11,13,19H,3-5,12,14H2,1-2H3,(H,24,25)(H,26,27)/p-1/t19-/m0/s1