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

Systemtic Name: ethanedioic acid; [1-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperidin-4-yl]-piperidin-1-yl-methanone Openeye Name: [1-[(E)-2-methyl-3-phenyl-allyl]-4-piperidyl]-(1-piperidyl)methanone; oxalic acid CAS Name: [1-[(E)-2-methyl-3-phenylprop-2-enyl]-4-piperidinyl]-(1-piperidinyl)methanone; oxalic acid IUPAC Name: [1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-4-yl]-piperidin-1-ylmethanone; oxalic acid Traditional Name: [1-[(E)-2-methyl-3-phenyl-allyl]-4-piperidyl]-piperidino-methanone; oxalic acid Formula: C23H32N2O5 MolecularWeight: 416.51058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1)CN2CCC(CC2)C(=O)N3CCCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

C/C(=C\C1=CC=CC=C1)/CN2CCC(CC2)C(=O)N3CCCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H30N2O.C2H2O4/c1-18(16-19-8-4-2-5-9-19)17-22-14-10-20(11-15-22)21(24)23-12-6-3-7-13-23;3-1(4)2(5)6/h2,4-5,8-9,16,20H,3,6-7,10-15,17H2,1H3;(H,3,4)(H,5,6)/b18-16+;