methyl 3-[[1,3-benzodioxol-5-ylmethyl(ethyl)carbamoyl]amino]-4-pyrrolidin-1-yl-benzoate

Systemtic Name: methyl 3-[[1,3-benzodioxol-5-ylmethyl(ethyl)carbamoyl]amino]-4-pyrrolidin-1-yl-benzoate Openeye Name: methyl 3-[[1,3-benzodioxol-5-ylmethyl(ethyl)carbamoyl]amino]-4-pyrrolidin-1-yl-benzoate CAS Name: 3-[[[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-oxomethyl]amino]-4-(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[1,3-benzodioxol-5-ylmethyl(ethyl)carbamoyl]amino]-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-[[ethyl(piperonyl)carbamoyl]amino]-4-pyrrolidino-benzoic acid methyl ester Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)N4CCCC4

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)N4CCCC4

InChI

InChI=1S/C23H27N3O5/c1-3-25(14-16-6-9-20-21(12-16)31-15-30-20)23(28)24-18-13-17(22(27)29-2)7-8-19(18)26-10-4-5-11-26/h6-9,12-13H,3-5,10-11,14-15H2,1-2H3,(H,24,28)