1-(1,3-benzodioxol-5-ylmethyl)-3-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]urea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]urea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxo-pyrrolidin-3-yl]urea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxo-3-pyrrolidinyl]urea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]urea Traditional Name: 1-[(3S)-1-(3,4-dimethoxyphenyl)-5-keto-pyrrolidin-3-yl]-3-piperonyl-urea Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2CC(CC2=O)NC(=O)NCC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C[C@H](CC2=O)NC(=O)NCC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C21H23N3O6/c1-27-16-6-4-15(9-18(16)28-2)24-11-14(8-20(24)25)23-21(26)22-10-13-3-5-17-19(7-13)30-12-29-17/h3-7,9,14H,8,10-12H2,1-2H3,(H2,22,23,26)/t14-/m0/s1