methyl 4-[3-[2-[(2-methylphenyl)amino]-1,3-benzoxazol-6-yl]-1-oxidanyl-2-oxidanylidene-1-pyrrolidin-1-yl-propoxy]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[3-[2-[(2-methylphenyl)amino]-1,3-benzoxazol-6-yl]-1-oxidanyl-2-oxidanylidene-1-pyrrolidin-1-yl-propoxy]cyclohexane-1-carboxylate Openeye Name: methyl 4-[1-hydroxy-3-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]-2-oxo-1-pyrrolidin-1-yl-propoxy]cyclohexanecarboxylate CAS Name: 4-[1-hydroxy-3-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]-2-oxo-1-(1-pyrrolidinyl)propoxy]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[1-hydroxy-3-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]-2-oxo-1-pyrrolidin-1-ylpropoxy]cyclohexane-1-carboxylate Traditional Name: 4-[1-hydroxy-2-keto-3-[2-(o-toluidino)-1,3-benzoxazol-6-yl]-1-pyrrolidino-propoxy]cyclohexanecarboxylic acid methyl ester Formula: C29H35N3O6 MolecularWeight: 521.6047

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC3=C(O2)C=C(C=C3)CC(=O)C(N4CCCC4)(O)OC5CCC(CC5)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1NC2=NC3=C(O2)C=C(C=C3)CC(=O)C(N4CCCC4)(O)OC5CCC(CC5)C(=O)OC

InChI

InChI=1S/C29H35N3O6/c1-19-7-3-4-8-23(19)30-28-31-24-14-9-20(17-25(24)37-28)18-26(33)29(35,32-15-5-6-16-32)38-22-12-10-21(11-13-22)27(34)36-2/h3-4,7-9,14,17,21-22,35H,5-6,10-13,15-16,18H2,1-2H3,(H,30,31)