2-(4-aminocarbonylpiperidin-1-yl)-4-[[3,5-bis(methoxycarbonyl)phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-(4-aminocarbonylpiperidin-1-yl)-4-[[3,5-bis(methoxycarbonyl)phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3,5-bis(methoxycarbonyl)anilino]-2-(4-carbamoyl-1-piperidyl)-4-oxo-butanoic acid CAS Name: 4-[3,5-bis(methoxycarbonyl)anilino]-2-(4-carbamoyl-1-piperidinyl)-4-oxobutanoic acid IUPAC Name: 4-[3,5-bis(methoxycarbonyl)anilino]-2-(4-carbamoylpiperidin-1-yl)-4-oxobutanoic acid Traditional Name: 2-(4-carbamoylpiperidino)-4-(3,5-dicarbomethoxyanilino)-4-keto-butyric acid Formula: C20H25N3O8 MolecularWeight: 435.4278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CC(C(=O)O)N2CCC(CC2)C(=O)N)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CC(C(=O)O)N2CCC(CC2)C(=O)N)C(=O)OC

InChI

InChI=1S/C20H25N3O8/c1-30-19(28)12-7-13(20(29)31-2)9-14(8-12)22-16(24)10-15(18(26)27)23-5-3-11(4-6-23)17(21)25/h7-9,11,15H,3-6,10H2,1-2H3,(H2,21,25)(H,22,24)(H,26,27)