1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3S)-5-oxidanylidene-1-phenyl-pyrrolidin-3-yl]urea

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3S)-5-oxidanylidene-1-phenyl-pyrrolidin-3-yl]urea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3S)-5-oxo-1-phenyl-pyrrolidin-3-yl]urea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3S)-5-oxo-1-phenyl-3-pyrrolidinyl]urea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea Traditional Name: 1-homoveratryl-3-[(3S)-5-keto-1-phenyl-pyrrolidin-3-yl]urea Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)NC2CC(=O)N(C2)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)N[C@H]2CC(=O)N(C2)C3=CC=CC=C3)OC

InChI

InChI=1S/C21H25N3O4/c1-27-18-9-8-15(12-19(18)28-2)10-11-22-21(26)23-16-13-20(25)24(14-16)17-6-4-3-5-7-17/h3-9,12,16H,10-11,13-14H2,1-2H3,(H2,22,23,26)/t16-/m0/s1