5-[[3,4-bis(butoxycarbonyl)phenyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[3,4-bis(butoxycarbonyl)phenyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[3,4-bis(butoxycarbonyl)anilino]-5-oxo-pentanoic acid CAS Name: 5-[3,4-bis[butoxy(oxo)methyl]anilino]-5-oxopentanoic acid IUPAC Name: 5-[3,4-bis(butoxycarbonyl)anilino]-5-oxopentanoic acid Traditional Name: 5-[3,4-bis(butoxycarbonyl)anilino]-5-keto-valeric acid Formula: C21H29NO7 MolecularWeight: 407.45746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C=C(C=C1)NC(=O)CCCC(=O)O)C(=O)OCCCC

Isomeric SMILES

CCCCOC(=O)C1=C(C=C(C=C1)NC(=O)CCCC(=O)O)C(=O)OCCCC

InChI

InChI=1S/C21H29NO7/c1-3-5-12-28-20(26)16-11-10-15(22-18(23)8-7-9-19(24)25)14-17(16)21(27)29-13-6-4-2/h10-11,14H,3-9,12-13H2,1-2H3,(H,22,23)(H,24,25)