[(2S)-1-[(2R)-2-propyloctanoyl]pyrrolidin-2-yl]methyl 4-nitrobenzoate

Systemtic Name: [(2S)-1-[(2R)-2-propyloctanoyl]pyrrolidin-2-yl]methyl 4-nitrobenzoate Openeye Name: [(2S)-1-[(2R)-2-propyloctanoyl]pyrrolidin-2-yl]methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2S)-1-[(2R)-1-oxo-2-propyloctyl]-2-pyrrolidinyl]methyl ester IUPAC Name: [(2S)-1-[(2R)-2-propyloctanoyl]pyrrolidin-2-yl]methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(2S)-1-[(2R)-2-propyloctanoyl]pyrrolidin-2-yl]methyl ester Formula: C23H34N2O5 MolecularWeight: 418.52646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCC)C(=O)N1CCCC1COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCC[C@@H](CCC)C(=O)N1CCC[C@H]1COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C23H34N2O5/c1-3-5-6-7-10-18(9-4-2)22(26)24-16-8-11-21(24)17-30-23(27)19-12-14-20(15-13-19)25(28)29/h12-15,18,21H,3-11,16-17H2,1-2H3/t18-,21+/m1/s1