[2-[3-oxidanylidene-3-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propyl]phenyl] benzoate

Systemtic Name: [2-[3-oxidanylidene-3-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propyl]phenyl] benzoate Openeye Name: [2-[3-oxo-3-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propyl]phenyl] benzoate CAS Name: benzoic acid [2-[3-oxo-3-[(2S)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]propyl]phenyl] ester IUPAC Name: [2-[3-oxo-3-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propyl]phenyl] benzoate Traditional Name: benzoic acid [2-[3-keto-3-[(2S)-2-(pyrrolidinomethyl)pyrrolidino]propyl]phenyl] ester Formula: C25H30N2O3 MolecularWeight: 406.5173

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2CCCN2C(=O)CCC3=CC=CC=C3OC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C[C@@H]2CCCN2C(=O)CCC3=CC=CC=C3OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H30N2O3/c28-24(27-18-8-12-22(27)19-26-16-6-7-17-26)15-14-20-9-4-5-13-23(20)30-25(29)21-10-2-1-3-11-21/h1-5,9-11,13,22H,6-8,12,14-19H2/t22-/m0/s1