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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3S)-1-(4-ethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]urea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3S)-1-(4-ethoxyphenyl)-5-oxo-pyrrolidin-3-yl]urea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3S)-1-(4-ethoxyphenyl)-5-oxo-3-pyrrolidinyl]urea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea Traditional Name: 1-[(3S)-5-keto-1-p-phenetyl-pyrrolidin-3-yl]-3-piperonyl-urea Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2CC(CC2=O)NC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C[C@H](CC2=O)NC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23N3O5/c1-2-27-17-6-4-16(5-7-17)24-12-15(10-20(24)25)23-21(26)22-11-14-3-8-18-19(9-14)29-13-28-18/h3-9,15H,2,10-13H2,1H3,(H2,22,23,26)/t15-/m0/s1