4-[[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-ethyl]amino]pentyl 4-methylbenzoate

Systemtic Name: 4-[[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-ethyl]amino]pentyl 4-methylbenzoate Openeye Name: 4-[[2-(3,4-dihydroxyphenyl)-2-hydroxy-ethyl]amino]pentyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid 4-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]pentyl ester IUPAC Name: 4-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]pentyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid 4-[[2-(3,4-dihydroxyphenyl)-2-hydroxy-ethyl]amino]pentyl ester Formula: C21H27NO5 MolecularWeight: 373.44278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCCCC(C)NCC(C2=CC(=C(C=C2)O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCCCC(C)NCC(C2=CC(=C(C=C2)O)O)O

InChI

InChI=1S/C21H27NO5/c1-14-5-7-16(8-6-14)21(26)27-11-3-4-15(2)22-13-20(25)17-9-10-18(23)19(24)12-17/h5-10,12,15,20,22-25H,3-4,11,13H2,1-2H3