1-[[4-ethoxycarbonyl-4-(phenylmethyl)piperidin-1-yl]methyl]-4-oxidanylidene-quinolizine-3-carboxylic acid

Systemtic Name: 1-[[4-ethoxycarbonyl-4-(phenylmethyl)piperidin-1-yl]methyl]-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 1-[(4-benzyl-4-ethoxycarbonyl-1-piperidyl)methyl]-4-oxo-quinolizine-3-carboxylic acid CAS Name: 1-[[4-ethoxycarbonyl-4-(phenylmethyl)-1-piperidinyl]methyl]-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 1-[(4-benzyl-4-ethoxycarbonylpiperidin-1-yl)methyl]-4-oxoquinolizine-3-carboxylic acid Traditional Name: 1-[(4-benzyl-4-carbethoxy-piperidino)methyl]-4-keto-quinolizine-3-carboxylic acid Formula: C26H28N2O5 MolecularWeight: 448.51092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2=C3C=CC=CN3C(=O)C(=C2)C(=O)O)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=C3C=CC=CN3C(=O)C(=C2)C(=O)O)CC4=CC=CC=C4

InChI

InChI=1S/C26H28N2O5/c1-2-33-25(32)26(17-19-8-4-3-5-9-19)11-14-27(15-12-26)18-20-16-21(24(30)31)23(29)28-13-7-6-10-22(20)28/h3-10,13,16H,2,11-12,14-15,17-18H2,1H3,(H,30,31)