1-[(3R)-1-(4-butoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3R)-1-(4-butoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperidine-4-carboxylic acid Openeye Name: 1-[(3R)-1-(4-butoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]piperidine-4-carboxylic acid CAS Name: 1-[(3R)-1-(4-butoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3R)-1-(4-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid Traditional Name: 1-[(3R)-1-(4-butoxyphenyl)-2,5-diketo-pyrrolidin-3-yl]isonipecotic acid Formula: C20H26N2O5 MolecularWeight: 374.43084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)N2C(=O)C[C@H](C2=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C20H26N2O5/c1-2-3-12-27-16-6-4-15(5-7-16)22-18(23)13-17(19(22)24)21-10-8-14(9-11-21)20(25)26/h4-7,14,17H,2-3,8-13H2,1H3,(H,25,26)/t17-/m1/s1