3-(2,6-dimethylphenyl)-1-(1-oxidanylidene-3-phenyl-1-pyrrolidin-1-yl-propan-2-yl)-1-[(4-phenylmethoxyphenyl)methyl]urea

Systemtic Name: 3-(2,6-dimethylphenyl)-1-(1-oxidanylidene-3-phenyl-1-pyrrolidin-1-yl-propan-2-yl)-1-[(4-phenylmethoxyphenyl)methyl]urea Openeye Name: 1-(1-benzyl-2-oxo-2-pyrrolidin-1-yl-ethyl)-1-[(4-benzyloxyphenyl)methyl]-3-(2,6-dimethylphenyl)urea CAS Name: 3-(2,6-dimethylphenyl)-1-[1-oxo-3-phenyl-1-(1-pyrrolidinyl)propan-2-yl]-1-[(4-phenylmethoxyphenyl)methyl]urea IUPAC Name: 3-(2,6-dimethylphenyl)-1-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)-1-[(4-phenylmethoxyphenyl)methyl]urea Traditional Name: 1-(4-benzoxybenzyl)-1-(1-benzyl-2-keto-2-pyrrolidino-ethyl)-3-(2,6-dimethylphenyl)urea Formula: C36H39N3O3 MolecularWeight: 561.71316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)N(CC2=CC=C(C=C2)OCC3=CC=CC=C3)C(CC4=CC=CC=C4)C(=O)N5CCCC5

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)N(CC2=CC=C(C=C2)OCC3=CC=CC=C3)C(CC4=CC=CC=C4)C(=O)N5CCCC5

InChI

InChI=1S/C36H39N3O3/c1-27-12-11-13-28(2)34(27)37-36(41)39(25-30-18-20-32(21-19-30)42-26-31-16-7-4-8-17-31)33(24-29-14-5-3-6-15-29)35(40)38-22-9-10-23-38/h3-8,11-21,33H,9-10,22-26H2,1-2H3,(H,37,41)