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

Systemtic Name: 1-[1-(4-butoxycarbonylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperidine-4-carboxylic acid Openeye Name: 1-[1-(4-butoxycarbonylphenyl)-2,5-dioxo-pyrrolidin-3-yl]piperidine-4-carboxylic acid CAS Name: 1-[1-[4-[butoxy(oxo)methyl]phenyl]-2,5-dioxo-3-pyrrolidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-(4-butoxycarbonylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid Traditional Name: 1-[1-(4-butoxycarbonylphenyl)-2,5-diketo-pyrrolidin-3-yl]isonipecotic acid Formula: C21H26N2O6 MolecularWeight: 402.44094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O6/c1-2-3-12-29-21(28)15-4-6-16(7-5-15)23-18(24)13-17(19(23)25)22-10-8-14(9-11-22)20(26)27/h4-7,14,17H,2-3,8-13H2,1H3,(H,26,27)