[4-[3-azanyl-5-(hydroxymethyl)phenyl]-3-(2,2-dimethylpropanoyloxy)cyclohexa-1,3-dien-1-yl] 2,2-dimethylpropanoate

Systemtic Name: [4-[3-azanyl-5-(hydroxymethyl)phenyl]-3-(2,2-dimethylpropanoyloxy)cyclohexa-1,3-dien-1-yl] 2,2-dimethylpropanoate Openeye Name: [4-[3-amino-5-(hydroxymethyl)phenyl]-3-(2,2-dimethylpropanoyloxy)cyclohexa-1,3-dien-1-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4-[3-amino-5-(hydroxymethyl)phenyl]-3-(2,2-dimethyl-1-oxopropoxy)-1-cyclohexa-1,3-dienyl] ester IUPAC Name: [4-[3-amino-5-(hydroxymethyl)phenyl]-3-(2,2-dimethylpropanoyloxy)cyclohexa-1,3-dien-1-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-(3-amino-5-methylol-phenyl)-3-pivaloyloxy-cyclohexa-1,3-dien-1-yl] ester Formula: C23H31NO5 MolecularWeight: 401.49594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC1=CC(=C(CC1)C2=CC(=CC(=C2)N)CO)OC(=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C(=O)OC1=CC(=C(CC1)C2=CC(=CC(=C2)N)CO)OC(=O)C(C)(C)C

InChI

InChI=1S/C23H31NO5/c1-22(2,3)20(26)28-17-7-8-18(15-9-14(13-25)10-16(24)11-15)19(12-17)29-21(27)23(4,5)6/h9-12,25H,7-8,13,24H2,1-6H3