1-[[4-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]carbonylphenyl]methyl]urea

Systemtic Name: 1-[[4-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]carbonylphenyl]methyl]urea Openeye Name: [4-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]methylurea CAS Name: [4-[[(2S)-2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]-oxomethyl]phenyl]methylurea IUPAC Name: [4-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]methylurea Traditional Name: [4-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]benzyl]urea Formula: C21H25N3O4 MolecularWeight: 383.4409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CCCN2C(=O)C3=CC=C(C=C3)CNC(=O)N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)[C@@H]2CCCN2C(=O)C3=CC=C(C=C3)CNC(=O)N

InChI

InChI=1S/C21H25N3O4/c1-27-16-9-10-19(28-2)17(12-16)18-4-3-11-24(18)20(25)15-7-5-14(6-8-15)13-23-21(22)26/h5-10,12,18H,3-4,11,13H2,1-2H3,(H3,22,23,26)/t18-/m0/s1