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

Systemtic Name: 3-[1-(2-azanylpropanoyl)-5-tert-butyl-3-methoxy-6-oxidanyl-cyclohexa-2,4-dien-1-yl]-1-(2-cyclohexylethyl)-1-phenyl-urea Openeye Name: 3-[1-(2-aminopropanoyl)-5-tert-butyl-6-hydroxy-3-methoxy-cyclohexa-2,4-dien-1-yl]-1-(2-cyclohexylethyl)-1-phenyl-urea CAS Name: 3-[1-(2-amino-1-oxopropyl)-5-tert-butyl-6-hydroxy-3-methoxy-1-cyclohexa-2,4-dienyl]-1-(2-cyclohexylethyl)-1-phenylurea IUPAC Name: 3-[1-(2-aminopropanoyl)-5-tert-butyl-6-hydroxy-3-methoxycyclohexa-2,4-dien-1-yl]-1-(2-cyclohexylethyl)-1-phenylurea Traditional Name: 3-(1-alanyl-5-tert-butyl-6-hydroxy-3-methoxy-cyclohexa-2,4-dien-1-yl)-1-(2-cyclohexylethyl)-1-phenyl-urea Formula: C29H43N3O4 MolecularWeight: 497.66942

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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(CCC2CCCCC2)C3=CC=CC=C3)N

Isomeric SMILES

CC(C(=O)C1(C=C(C=C(C1O)C(C)(C)C)OC)NC(=O)N(CCC2CCCCC2)C3=CC=CC=C3)N

InChI

InChI=1S/C29H43N3O4/c1-20(30)25(33)29(19-23(36-5)18-24(26(29)34)28(2,3)4)31-27(35)32(22-14-10-7-11-15-22)17-16-21-12-8-6-9-13-21/h7,10-11,14-15,18-21,26,34H,6,8-9,12-13,16-17,30H2,1-5H3,(H,31,35)