1-(5-tert-butyl-1-ethanoyl-3-methoxy-6-oxidanyl-cyclohexa-2,4-dien-1-yl)-3-(pyridin-3-ylmethyl)urea hydrochloride

Systemtic Name: 1-(5-tert-butyl-1-ethanoyl-3-methoxy-6-oxidanyl-cyclohexa-2,4-dien-1-yl)-3-(pyridin-3-ylmethyl)urea hydrochloride Openeye Name: 1-(1-acetyl-5-tert-butyl-6-hydroxy-3-methoxy-cyclohexa-2,4-dien-1-yl)-3-(3-pyridylmethyl)urea hydrochloride CAS Name: 1-(1-acetyl-5-tert-butyl-6-hydroxy-3-methoxy-1-cyclohexa-2,4-dienyl)-3-(3-pyridinylmethyl)urea hydrochloride IUPAC Name: 1-(1-acetyl-5-tert-butyl-6-hydroxy-3-methoxycyclohexa-2,4-dien-1-yl)-3-(pyridin-3-ylmethyl)urea hydrochloride Traditional Name: 1-(1-acetyl-5-tert-butyl-6-hydroxy-3-methoxy-cyclohexa-2,4-dien-1-yl)-3-(3-pyridylmethyl)urea hydrochloride Formula: C20H28ClN3O4 MolecularWeight: 409.90702

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(C=C(C=C(C1O)C(C)(C)C)OC)NC(=O)NCC2=CN=CC=C2.Cl

Isomeric SMILES

CC(=O)C1(C=C(C=C(C1O)C(C)(C)C)OC)NC(=O)NCC2=CN=CC=C2.Cl

InChI

InChI=1S/C20H27N3O4.ClH/c1-13(24)20(23-18(26)22-12-14-7-6-8-21-11-14)10-15(27-5)9-16(17(20)25)19(2,3)4;/h6-11,17,25H,12H2,1-5H3,(H2,22,23,26);1H