2-(dicyclohexylamino)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone; ethanedioic acid

Systemtic Name: 2-(dicyclohexylamino)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone; ethanedioic acid Openeye Name: 2-(dicyclohexylamino)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone; oxalic acid CAS Name: 2-(dicyclohexylamino)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone; oxalic acid IUPAC Name: 2-(dicyclohexylamino)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone; oxalic acid Traditional Name: 2-(dicyclohexylamino)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone; oxalic acid Formula: C25H36N2O5 MolecularWeight: 444.56374

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CC(=O)N2CCC3=CC=CC=C3C2)C4CCCCC4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCC(CC1)N(CC(=O)N2CCC3=CC=CC=C3C2)C4CCCCC4.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H34N2O.C2H2O4/c26-23(24-16-15-19-9-7-8-10-20(19)17-24)18-25(21-11-3-1-4-12-21)22-13-5-2-6-14-22;3-1(4)2(5)6/h7-10,21-22H,1-6,11-18H2;(H,3,4)(H,5,6)