ethanedioic acid; [1-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperidin-4-yl]-morpholin-4-yl-methanone

Systemtic Name: ethanedioic acid; [1-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperidin-4-yl]-morpholin-4-yl-methanone Openeye Name: [1-[(E)-2-methyl-3-phenyl-allyl]-4-piperidyl]-morpholino-methanone; oxalic acid CAS Name: [1-[(E)-2-methyl-3-phenylprop-2-enyl]-4-piperidinyl]-(4-morpholinyl)methanone; oxalic acid IUPAC Name: [1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-4-yl]-morpholin-4-ylmethanone; oxalic acid Traditional Name: [1-[(E)-2-methyl-3-phenyl-allyl]-4-piperidyl]-morpholino-methanone; oxalic acid Formula: C22H30N2O6 MolecularWeight: 418.4834

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1)CN2CCC(CC2)C(=O)N3CCOCC3.C(=O)(C(=O)O)O

Isomeric SMILES

C/C(=C\C1=CC=CC=C1)/CN2CCC(CC2)C(=O)N3CCOCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H28N2O2.C2H2O4/c1-17(15-18-5-3-2-4-6-18)16-21-9-7-19(8-10-21)20(23)22-11-13-24-14-12-22;3-1(4)2(5)6/h2-6,15,19H,7-14,16H2,1H3;(H,3,4)(H,5,6)/b17-15+;