5-[(3-ethoxycarbonyl-4-piperidin-1-yl-phenyl)amino]-3,3-dimethyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[(3-ethoxycarbonyl-4-piperidin-1-yl-phenyl)amino]-3,3-dimethyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-[3-ethoxycarbonyl-4-(1-piperidyl)anilino]-3,3-dimethyl-5-oxo-pentanoic acid CAS Name: 5-[3-ethoxycarbonyl-4-(1-piperidinyl)anilino]-3,3-dimethyl-5-oxopentanoic acid IUPAC Name: 5-(3-ethoxycarbonyl-4-piperidin-1-ylanilino)-3,3-dimethyl-5-oxopentanoic acid Traditional Name: 5-(3-carbethoxy-4-piperidino-anilino)-5-keto-3,3-dimethyl-valeric acid Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)NC(=O)CC(C)(C)CC(=O)O)N2CCCCC2

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)NC(=O)CC(C)(C)CC(=O)O)N2CCCCC2

InChI

InChI=1S/C21H30N2O5/c1-4-28-20(27)16-12-15(8-9-17(16)23-10-6-5-7-11-23)22-18(24)13-21(2,3)14-19(25)26/h8-9,12H,4-7,10-11,13-14H2,1-3H3,(H,22,24)(H,25,26)