methyl 4-[3-[[2-(3-aminocarbonyl-4-oxidanyl-phenyl)-2-oxidanyl-ethyl]amino]butyl]benzoate

Systemtic Name: methyl 4-[3-[[2-(3-aminocarbonyl-4-oxidanyl-phenyl)-2-oxidanyl-ethyl]amino]butyl]benzoate Openeye Name: methyl 4-[3-[[2-(3-carbamoyl-4-hydroxy-phenyl)-2-hydroxy-ethyl]amino]butyl]benzoate CAS Name: 4-[3-[[2-(3-carbamoyl-4-hydroxyphenyl)-2-hydroxyethyl]amino]butyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[[2-(3-carbamoyl-4-hydroxyphenyl)-2-hydroxyethyl]amino]butyl]benzoate Traditional Name: 4-[3-[[2-(3-carbamoyl-4-hydroxy-phenyl)-2-hydroxy-ethyl]amino]butyl]benzoic acid methyl ester Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)C(=O)OC)NCC(C2=CC(=C(C=C2)O)C(=O)N)O

Isomeric SMILES

CC(CCC1=CC=C(C=C1)C(=O)OC)NCC(C2=CC(=C(C=C2)O)C(=O)N)O

InChI

InChI=1S/C21H26N2O5/c1-13(3-4-14-5-7-15(8-6-14)21(27)28-2)23-12-19(25)16-9-10-18(24)17(11-16)20(22)26/h5-11,13,19,23-25H,3-4,12H2,1-2H3,(H2,22,26)