ethyl 3-[[2-(3-aminocarbonyl-4-oxidanyl-phenyl)-2-oxidanyl-ethyl]amino]-2-(phenylmethyl)butanoate

Systemtic Name: ethyl 3-[[2-(3-aminocarbonyl-4-oxidanyl-phenyl)-2-oxidanyl-ethyl]amino]-2-(phenylmethyl)butanoate Openeye Name: ethyl 2-benzyl-3-[[2-(3-carbamoyl-4-hydroxy-phenyl)-2-hydroxy-ethyl]amino]butanoate CAS Name: 3-[[2-(3-carbamoyl-4-hydroxyphenyl)-2-hydroxyethyl]amino]-2-(phenylmethyl)butanoic acid ethyl ester IUPAC Name: ethyl 2-benzyl-3-[[2-(3-carbamoyl-4-hydroxyphenyl)-2-hydroxyethyl]amino]butanoate Traditional Name: 2-benzyl-3-[[2-(3-carbamoyl-4-hydroxy-phenyl)-2-hydroxy-ethyl]amino]butyric acid ethyl ester Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)C(C)NCC(C2=CC(=C(C=C2)O)C(=O)N)O

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)C(C)NCC(C2=CC(=C(C=C2)O)C(=O)N)O

InChI

InChI=1S/C22H28N2O5/c1-3-29-22(28)17(11-15-7-5-4-6-8-15)14(2)24-13-20(26)16-9-10-19(25)18(12-16)21(23)27/h4-10,12,14,17,20,24-26H,3,11,13H2,1-2H3,(H2,23,27)