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

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperidin-4-yl]methanone; ethanedioic acid Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(E)-2-methyl-3-phenyl-allyl]-4-piperidyl]methanone; oxalic acid CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(E)-2-methyl-3-phenylprop-2-enyl]-4-piperidinyl]methanone; oxalic acid IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-4-yl]methanone; oxalic acid Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(E)-2-methyl-3-phenyl-allyl]-4-piperidyl]methanone; oxalic acid Formula: C27H32N2O5 MolecularWeight: 464.55338

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1)CN2CCC(CC2)C(=O)N3CCC4=CC=CC=C4C3.C(=O)(C(=O)O)O

Isomeric SMILES

C/C(=C\C1=CC=CC=C1)/CN2CCC(CC2)C(=O)N3CCC4=CC=CC=C4C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H30N2O.C2H2O4/c1-20(17-21-7-3-2-4-8-21)18-26-14-11-23(12-15-26)25(28)27-16-13-22-9-5-6-10-24(22)19-27;3-1(4)2(5)6/h2-10,17,23H,11-16,18-19H2,1H3;(H,3,4)(H,5,6)/b20-17+;