3-[1-(2-azanylpropanoyl)-5-tert-butyl-3-methoxy-6-oxidanyl-cyclohexa-2,4-dien-1-yl]-1-cycloheptyl-1-(4-dimethylaminophenyl)urea dihydrochloride

Systemtic Name: 3-[1-(2-azanylpropanoyl)-5-tert-butyl-3-methoxy-6-oxidanyl-cyclohexa-2,4-dien-1-yl]-1-cycloheptyl-1-(4-dimethylaminophenyl)urea dihydrochloride Openeye Name: 3-[1-(2-aminopropanoyl)-5-tert-butyl-6-hydroxy-3-methoxy-cyclohexa-2,4-dien-1-yl]-1-cycloheptyl-1-(4-dimethylaminophenyl)urea dihydrochloride CAS Name: 3-[1-(2-amino-1-oxopropyl)-5-tert-butyl-6-hydroxy-3-methoxy-1-cyclohexa-2,4-dienyl]-1-cycloheptyl-1-(4-dimethylaminophenyl)urea dihydrochloride IUPAC Name: 3-[1-(2-aminopropanoyl)-5-tert-butyl-6-hydroxy-3-methoxycyclohexa-2,4-dien-1-yl]-1-cycloheptyl-1-(4-dimethylaminophenyl)urea dihydrochloride Traditional Name: 3-(1-alanyl-5-tert-butyl-6-hydroxy-3-methoxy-cyclohexa-2,4-dien-1-yl)-1-cycloheptyl-1-(4-dimethylaminophenyl)urea dihydrochloride Formula: C30H48Cl2N4O4 MolecularWeight: 599.63252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1(C=C(C=C(C1O)C(C)(C)C)OC)NC(=O)N(C2CCCCCC2)C3=CC=C(C=C3)N(C)C)N.Cl.Cl

Isomeric SMILES

CC(C(=O)C1(C=C(C=C(C1O)C(C)(C)C)OC)NC(=O)N(C2CCCCCC2)C3=CC=C(C=C3)N(C)C)N.Cl.Cl

InChI

InChI=1S/C30H46N4O4.2ClH/c1-20(31)26(35)30(19-24(38-7)18-25(27(30)36)29(2,3)4)32-28(37)34(22-12-10-8-9-11-13-22)23-16-14-21(15-17-23)33(5)6;;/h14-20,22,27,36H,8-13,31H2,1-7H3,(H,32,37);2*1H